3-(cyclopropanecarbonylamino)-1-[1-[[3-(difluoromethoxy)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide

C120H140F8N30O15S2 — CID 157145778

IUPAC3-(cyclopropanecarbonylamino)-1-[1-[[3-(difluoromethoxy)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide
SMILES[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(CCC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(CS(=O)(=O)C(C)C)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(CS(=O)(=O)C(F)(F)F)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C29H30N6O2.C26H34N6O4S.C24H27F3N6O4S.C23H26F2N6O3.C18H23F3N6O2/c1-31-18-29(35-17-25(26(30)36)27(33-35)32-28(37)20-7-8-20)10-12-34(13-11-29)16-19-6-9-24-22(14-19)15-21-4-2-3-5-23(21)24;1-18(2)37(35,36)16-20-6-4-5-19(13-20)14-31-11-9-26(10-12-31,17-28-3)32-15-22(23(27)33)24(30-32)29-25(34)21-7-8-21;1-29-15-23(33-13-19(20(28)34)21(31-33)30-22(35)18-5-6-18)7-9-32(10-8-23)12-16-3-2-4-17(11-16)14-38(36,37)24(25,26)27;1-27-14-23(31-13-18(19(26)32)20(29-31)28-21(33)16-5-6-16)7-9-30(10-8-23)12-15-3-2-4-17(11-15)34-22(24)25;1-23-11-17(4-7-26(8-5-17)9-6-18(19,20)21)27-10-13(14(22)28)15(25-27)24-16(29)12-2-3-12/h2-6,9,14,17,20H,7-8,10-13,15-16,18H2,(H2,30,36)(H,32,33,37);4-6,13,15,18,21H,7-12,14,16-17H2,1-2H3,(H2,27,33)(H,29,30,34);2-4,11,13,18H,5-10,12,14-15H2,(H2,28,34)(H,30,31,35);2-4,11,13,16,22H,5-10,12,14H2,(H2,26,32)(H,28,29,33);10,12H,2-9,11H2,(H2,22,28)(H,24,25,29)
InChIKeyAKRNEOZELXWBOP-UHFFFAOYSA-N
MW2458.75 g/mol
LogP13.89
Rot. Bonds42

About 3-(cyclopropanecarbonylamino)-1-[1-[[3-(difluoromethoxy)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide

3-(cyclopropanecarbonylamino)-1-[1-[[3-(difluoromethoxy)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 157145778) has the molecular formula C120H140F8N30O15S2 and a molecular weight of 2458.75 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-1-[1-[[3-(difluoromethoxy)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-1-[1-[[3-(difluoromethoxy)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID157145778
Molecular FormulaC120H140F8N30O15S2
Molecular Weight2458.75 g/mol
Exact Mass2457.04
IUPAC Name3-(cyclopropanecarbonylamino)-1-[1-[[3-(difluoromethoxy)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide
SMILES[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(CCC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(CS(=O)(=O)C(C)C)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(CS(=O)(=O)C(F)(F)F)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C29H30N6O2.C26H34N6O4S.C24H27F3N6O4S.C23H26F2N6O3.C18H23F3N6O2/c1-31-18-29(35-17-25(26(30)36)27(33-35)32-28(37)20-7-8-20)10-12-34(13-11-29)16-19-6-9-24-22(14-19)15-21-4-2-3-5-23(21)24;1-18(2)37(35,36)16-20-6-4-5-19(13-20)14-31-11-9-26(10-12-31,17-28-3)32-15-22(23(27)33)24(30-32)29-25(34)21-7-8-21;1-29-15-23(33-13-19(20(28)34)21(31-33)30-22(35)18-5-6-18)7-9-32(10-8-23)12-16-3-2-4-17(11-16)14-38(36,37)24(25,26)27;1-27-14-23(31-13-18(19(26)32)20(29-31)28-21(33)16-5-6-16)7-9-30(10-8-23)12-15-3-2-4-17(11-15)34-22(24)25;1-23-11-17(4-7-26(8-5-17)9-6-18(19,20)21)27-10-13(14(22)28)15(25-27)24-16(29)12-2-3-12/h2-6,9,14,17,20H,7-8,10-13,15-16,18H2,(H2,30,36)(H,32,33,37);4-6,13,15,18,21H,7-12,14,16-17H2,1-2H3,(H2,27,33)(H,29,30,34);2-4,11,13,18H,5-10,12,14-15H2,(H2,28,34)(H,30,31,35);2-4,11,13,16,22H,5-10,12,14H2,(H2,26,32)(H,28,29,33);10,12H,2-9,11H2,(H2,22,28)(H,24,25,29)
InChIKeyAKRNEOZELXWBOP-UHFFFAOYSA-N
XLogP13.89
TPSA565.56 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds42
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002458.75
LogP ≤ 513.89
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-(cyclopropanecarbonylamino)-1-[1-[[3-(difluoromethoxy)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide with MolForge

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Related Compounds

3-(cyclopropanecarbonylamino)-1-[1-[[3-(difluoromethoxy)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 160252651
3-(Cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 160253581
CID 161150810
CID 161150810
1-[1-[[4-(Benzimidazol-1-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[3-(difluoromethoxy)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(1,3-dihydro-2-benzothiophen-5-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(2-phenyltriazol-4-yl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 161630930
1-[1-[[4-(5-Chlorothiophen-2-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-3-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 161927535
3-(Cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(4-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 162090930
1-[1-[[4-(5-Chlorothiophen-2-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[[4-(5-chlorothiophen-3-yl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(4-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 162259683
1-[(3R,4R)-1-benzyl-3-fluoro-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[(3S,4R)-1-benzyl-3-fluoro-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[(3-chloro-4-phenylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[(3-cyano-4-phenylphenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methoxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(3-methyl-4-phenylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 161639245
3-(Cyclopropanecarbonylamino)-1-[1-[[4-(3-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-(4-ethylphenyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[[4-[3-(hydroxymethyl)phenyl]phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-[3-(methoxymethyl)phenyl]phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[4-(4-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 161965303

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-1-[1-[[3-(difluoromethoxy)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-1-[1-[[3-(difluoromethoxy)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide (CID 157145778) is 3-(cyclopropanecarbonylamino)-1-[1-[[3-(difluoromethoxy)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-1-[1-[[3-(difluoromethoxy)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-1-[1-[[3-(difluoromethoxy)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide is [C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(CCC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(CS(=O)(=O)C(C)C)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(CS(=O)(=O)C(F)(F)F)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(OC(F)F)c2)CC1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-1-[1-[[3-(difluoromethoxy)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is AKRNEOZELXWBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2.C26H34N6O4S.C24H27F3N6O4S.C23H26F2N6O3.C18H23F3N6O2/c1-31-18-29(35-17-25(26(30)36)27(33-35)32-28(37)20-7-8-20)10-12-34(13-11-29)16-19-6-9-24-22(14-19)15-21-4-2-3-5-23(21)24;1-18(2)37(35,36)16-20-6-4-5-19(13-20)14-31-11-9-26(10-12-31,17-28-3)32-15-22(23(27)33)24(30-32)29-25(34)21-7-8-21;1-29-15-23(33-13-19(20(28)34)21(31-33)30-22(35)18-5-6-18)7-9-32(10-8-23)12-16-3-2-4-17(11-16)14-38(36,37)24(25,26)27;1-27-14-23(31-13-18(19(26)32)20(29-31)28-21(33)16-5-6-16)7-9-30(10-8-23)12-15-3-2-4-17(11-15)34-22(24)25;1-23-11-17(4-7-26(8-5-17)9-6-18(19,20)21)27-10-13(14(22)28)15(25-27)24-16(29)12-2-3-12/h2-6,9,14,17,20H,7-8,10-13,15-16,18H2,(H2,30,36)(H,32,33,37);4-6,13,15,18,21H,7-12,14,16-17H2,1-2H3,(H2,27,33)(H,29,30,34);2-4,11,13,18H,5-10,12,14-15H2,(H2,28,34)(H,30,31,35);2-4,11,13,16,22H,5-10,12,14H2,(H2,26,32)(H,28,29,33);10,12H,2-9,11H2,(H2,22,28)(H,24,25,29).
What are the key properties of 3-(cyclopropanecarbonylamino)-1-[1-[[3-(difluoromethoxy)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide?
3-(cyclopropanecarbonylamino)-1-[1-[[3-(difluoromethoxy)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 2458.75 g/mol, XLogP of 13.89, 42 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-1-[1-[[3-(difluoromethoxy)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfonylmethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 157145778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).