1-[1-[[3-(aminomethyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-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-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide

C123H146F7N33O13S — CID 158283457

IUPAC1-[1-[[3-(aminomethyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-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-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide
SMILES[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)CC1.[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(CN)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(CS(=O)(=O)C(C)C)c2)CC1
InChIInChI=1S/C29H30N6O2.C27H30F4N8O3.C26H34N6O4S.C23H29N7O2.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;1-33-15-26(39-14-19(22(32)40)23(36-39)35-24(41)16-2-3-16)7-12-37(13-8-26)17-5-10-38(11-6-17)25(42)18-4-9-34-21(20(18)28)27(29,30)31;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;1-26-15-23(7-9-29(10-8-23)13-17-4-2-3-16(11-17)12-24)30-14-19(20(25)31)21(28-30)27-22(32)18-5-6-18;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);4,9,14,16-17H,2-3,5-8,10-13,15H2,(H2,32,40)(H,35,36,41);4-6,13,15,18,21H,7-12,14,16-17H2,1-2H3,(H2,27,33)(H,29,30,34);2-4,11,14,18H,5-10,12-13,15,24H2,(H2,25,31)(H,27,28,32);10,12H,2-9,11H2,(H2,22,28)(H,24,25,29)
InChIKeyGKMDXNZWYWYHCD-UHFFFAOYSA-N
MW2459.79 g/mol
LogP12.97
Rot. Bonds39

About 1-[1-[[3-(aminomethyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-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-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide

1-[1-[[3-(aminomethyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-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-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 158283457) has the molecular formula C123H146F7N33O13S and a molecular weight of 2459.79 g/mol. Its IUPAC name is 1-[1-[[3-(aminomethyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-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-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-[[3-(aminomethyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-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-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID158283457
Molecular FormulaC123H146F7N33O13S
Molecular Weight2459.79 g/mol
Exact Mass2458.14
IUPAC Name1-[1-[[3-(aminomethyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-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-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide
SMILES[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)CC1.[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(CN)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(CS(=O)(=O)C(C)C)c2)CC1
InChIInChI=1S/C29H30N6O2.C27H30F4N8O3.C26H34N6O4S.C23H29N7O2.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;1-33-15-26(39-14-19(22(32)40)23(36-39)35-24(41)16-2-3-16)7-12-37(13-8-26)17-5-10-38(11-6-17)25(42)18-4-9-34-21(20(18)28)27(29,30)31;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;1-26-15-23(7-9-29(10-8-23)13-17-4-2-3-16(11-17)12-24)30-14-19(20(25)31)21(28-30)27-22(32)18-5-6-18;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);4,9,14,16-17H,2-3,5-8,10-13,15H2,(H2,32,40)(H,35,36,41);4-6,13,15,18,21H,7-12,14,16-17H2,1-2H3,(H2,27,33)(H,29,30,34);2-4,11,14,18H,5-10,12-13,15,24H2,(H2,25,31)(H,27,28,32);10,12H,2-9,11H2,(H2,22,28)(H,24,25,29)
InChIKeyGKMDXNZWYWYHCD-UHFFFAOYSA-N
XLogP12.97
TPSA581.41 Ų
H-Bond Donors11
H-Bond Acceptors30
Rotatable Bonds39
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002459.79
LogP ≤ 512.97
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 1-[1-[[3-(aminomethyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-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-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(aminomethyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-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-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-[[3-(aminomethyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-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-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide (CID 158283457) is 1-[1-[[3-(aminomethyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-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-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-[[3-(aminomethyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-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-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-[[3-(aminomethyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-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-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide is [C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)CC1.[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(CN)c2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(CS(=O)(=O)C(C)C)c2)CC1.
What is the InChIKey of 1-[1-[[3-(aminomethyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-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-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is GKMDXNZWYWYHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2.C27H30F4N8O3.C26H34N6O4S.C23H29N7O2.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;1-33-15-26(39-14-19(22(32)40)23(36-39)35-24(41)16-2-3-16)7-12-37(13-8-26)17-5-10-38(11-6-17)25(42)18-4-9-34-21(20(18)28)27(29,30)31;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;1-26-15-23(7-9-29(10-8-23)13-17-4-2-3-16(11-17)12-24)30-14-19(20(25)31)21(28-30)27-22(32)18-5-6-18;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);4,9,14,16-17H,2-3,5-8,10-13,15H2,(H2,32,40)(H,35,36,41);4-6,13,15,18,21H,7-12,14,16-17H2,1-2H3,(H2,27,33)(H,29,30,34);2-4,11,14,18H,5-10,12-13,15,24H2,(H2,25,31)(H,27,28,32);10,12H,2-9,11H2,(H2,22,28)(H,24,25,29).
What are the key properties of 1-[1-[[3-(aminomethyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-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-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide?
1-[1-[[3-(aminomethyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-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-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 2459.79 g/mol, XLogP of 12.97, 39 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(aminomethyl)phenyl]methyl]-4-(isocyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-(9H-fluoren-2-ylmethyl)-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-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-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 158283457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).