cis-(1S,3R)-3-acetamido-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]cyclopentane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(1-methyl-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-yl-2,1-benzothiazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide

C103H116Cl3F2N15O8S — CID 167636074

IUPACcis-(1S,3R)-3-acetamido-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]cyclopentane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(1-methyl-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-yl-2,1-benzothiazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide
SMILESCC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4c(c3)C3(CCCC3)C(C)=N4)c(Cl)cn2)C1.CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3ccc4nn5c(c4c3)C(C)CC5)c(Cl)cn2)C1.CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3ccc4nsc(C(C)C)c4c3)c(Cl)cn2)C1.CC(=O)N[C@@H]1CC[C@H](C(=O)Nc2cc(-c3cc(F)c4ncn(C(C)C)c4c3)c(C)cn2)C1
InChIInChI=1S/C28H31ClFN3O2.C26H29ClN4O2.C25H28ClN3O2S.C24H28FN5O2/c1-16(34)10-18-6-5-7-19(11-18)27(35)33-25-14-21(23(29)15-31-25)20-12-22-26(24(30)13-20)32-17(2)28(22)8-3-4-9-28;1-15-8-9-31-25(15)21-12-18(6-7-23(21)30-31)20-13-24(28-14-22(20)27)29-26(33)19-5-3-4-17(11-19)10-16(2)32;1-14(2)24-20-11-17(7-8-22(20)29-32-24)19-12-23(27-13-21(19)26)28-25(31)18-6-4-5-16(10-18)9-15(3)30;1-13(2)30-12-27-23-20(25)8-17(9-21(23)30)19-10-22(26-11-14(19)3)29-24(32)16-5-6-18(7-16)28-15(4)31/h12-15,18-19H,3-11H2,1-2H3,(H,31,33,35);6-7,12-15,17,19H,3-5,8-11H2,1-2H3,(H,28,29,33);7-8,11-14,16,18H,4-6,9-10H2,1-3H3,(H,27,28,31);8-13,16,18H,5-7H2,1-4H3,(H,28,31)(H,26,29,32)/t18-,19-;15?,17-,19-;16-,18-;16-,18+/m0000/s1
InChIKeyOMKGNHXDVBSFPT-OLSZVMRASA-N
MW1868.58 g/mol
LogP24.39
Rot. Bonds21

About cis-(1S,3R)-3-acetamido-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]cyclopentane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(1-methyl-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-yl-2,1-benzothiazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide

cis-(1S,3R)-3-acetamido-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]cyclopentane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(1-methyl-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-yl-2,1-benzothiazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide (PubChem CID 167636074) has the molecular formula C103H116Cl3F2N15O8S and a molecular weight of 1868.58 g/mol. Its IUPAC name is cis-(1S,3R)-3-acetamido-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]cyclopentane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(1-methyl-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-yl-2,1-benzothiazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-acetamido-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]cyclopentane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(1-methyl-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-yl-2,1-benzothiazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide
PubChem CID167636074
Molecular FormulaC103H116Cl3F2N15O8S
Molecular Weight1868.58 g/mol
Exact Mass1865.79
IUPAC Namecis-(1S,3R)-3-acetamido-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]cyclopentane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(1-methyl-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-yl-2,1-benzothiazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide
SMILESCC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4c(c3)C3(CCCC3)C(C)=N4)c(Cl)cn2)C1.CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3ccc4nn5c(c4c3)C(C)CC5)c(Cl)cn2)C1.CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3ccc4nsc(C(C)C)c4c3)c(Cl)cn2)C1.CC(=O)N[C@@H]1CC[C@H](C(=O)Nc2cc(-c3cc(F)c4ncn(C(C)C)c4c3)c(C)cn2)C1
InChIInChI=1S/C28H31ClFN3O2.C26H29ClN4O2.C25H28ClN3O2S.C24H28FN5O2/c1-16(34)10-18-6-5-7-19(11-18)27(35)33-25-14-21(23(29)15-31-25)20-12-22-26(24(30)13-20)32-17(2)28(22)8-3-4-9-28;1-15-8-9-31-25(15)21-12-18(6-7-23(21)30-31)20-13-24(28-14-22(20)27)29-26(33)19-5-3-4-17(11-19)10-16(2)32;1-14(2)24-20-11-17(7-8-22(20)29-32-24)19-12-23(27-13-21(19)26)28-25(31)18-6-4-5-16(10-18)9-15(3)30;1-13(2)30-12-27-23-20(25)8-17(9-21(23)30)19-10-22(26-11-14(19)3)29-24(32)16-5-6-18(7-16)28-15(4)31/h12-15,18-19H,3-11H2,1-2H3,(H,31,33,35);6-7,12-15,17,19H,3-5,8-11H2,1-2H3,(H,28,29,33);7-8,11-14,16,18H,4-6,9-10H2,1-3H3,(H,27,28,31);8-13,16,18H,5-7H2,1-4H3,(H,28,31)(H,26,29,32)/t18-,19-;15?,17-,19-;16-,18-;16-,18+/m0000/s1
InChIKeyOMKGNHXDVBSFPT-OLSZVMRASA-N
XLogP24.39
TPSA309.16 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001868.58
LogP ≤ 524.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze cis-(1S,3R)-3-acetamido-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]cyclopentane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(1-methyl-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-yl-2,1-benzothiazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

trans-(1S,3R)-1-[[(1S,3R)-3-acetamidocyclohexanecarbonyl]amino]-N-[5-chloro-4-(1-methyl-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(dimethylcarbamoylamino)-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide
CID 166060492
cis-(1S,3R)-3-[2-(1-bicyclo[1.1.1]pentanyl)-2-oxoethyl]-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide
CID 157783199
cis-(1S,3R)-N-[5-chloro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(1-methyl-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-yl-2,1-benzothiazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-3-[2-(dimethylamino)-2-oxoethyl]-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide
CID 158988602
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(3-chloro-1-methylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyrazin-2-ylamino)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 167588246
cis-(1S,3R)-N-[5-chloro-4-(3-cyclopropyl-7-fluoro-2-methylindazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]-3-[2-(1-methylcyclopropyl)-2-oxoethyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(2-methyl-3-propan-2-ylpyrazolo[4,3-b]pyridin-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide
CID 167683519
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(3-chloro-1-methylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyrazin-2-ylamino)pyrrolidine-2-carboxamide
CID 167683732
cis-(1S,3R)-3-[2-(1-bicyclo[1.1.1]pentanyl)-2-oxoethyl]-N-[5-chloro-4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-yl-3a,7a-dihydrobenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide
CID 167688517

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-acetamido-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]cyclopentane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(1-methyl-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-yl-2,1-benzothiazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-acetamido-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]cyclopentane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(1-methyl-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-yl-2,1-benzothiazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide (CID 167636074) is cis-(1S,3R)-3-acetamido-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]cyclopentane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(1-methyl-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-yl-2,1-benzothiazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-acetamido-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]cyclopentane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(1-methyl-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-yl-2,1-benzothiazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-acetamido-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]cyclopentane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(1-methyl-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-yl-2,1-benzothiazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide is CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4c(c3)C3(CCCC3)C(C)=N4)c(Cl)cn2)C1.CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3ccc4nn5c(c4c3)C(C)CC5)c(Cl)cn2)C1.CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3ccc4nsc(C(C)C)c4c3)c(Cl)cn2)C1.CC(=O)N[C@@H]1CC[C@H](C(=O)Nc2cc(-c3cc(F)c4ncn(C(C)C)c4c3)c(C)cn2)C1.
What is the InChIKey of cis-(1S,3R)-3-acetamido-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]cyclopentane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(1-methyl-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-yl-2,1-benzothiazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide?
The InChIKey is OMKGNHXDVBSFPT-OLSZVMRASA-N. The full InChI is InChI=1S/C28H31ClFN3O2.C26H29ClN4O2.C25H28ClN3O2S.C24H28FN5O2/c1-16(34)10-18-6-5-7-19(11-18)27(35)33-25-14-21(23(29)15-31-25)20-12-22-26(24(30)13-20)32-17(2)28(22)8-3-4-9-28;1-15-8-9-31-25(15)21-12-18(6-7-23(21)30-31)20-13-24(28-14-22(20)27)29-26(33)19-5-3-4-17(11-19)10-16(2)32;1-14(2)24-20-11-17(7-8-22(20)29-32-24)19-12-23(27-13-21(19)26)28-25(31)18-6-4-5-16(10-18)9-15(3)30;1-13(2)30-12-27-23-20(25)8-17(9-21(23)30)19-10-22(26-11-14(19)3)29-24(32)16-5-6-18(7-16)28-15(4)31/h12-15,18-19H,3-11H2,1-2H3,(H,31,33,35);6-7,12-15,17,19H,3-5,8-11H2,1-2H3,(H,28,29,33);7-8,11-14,16,18H,4-6,9-10H2,1-3H3,(H,27,28,31);8-13,16,18H,5-7H2,1-4H3,(H,28,31)(H,26,29,32)/t18-,19-;15?,17-,19-;16-,18-;16-,18+/m0000/s1.
What are the key properties of cis-(1S,3R)-3-acetamido-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]cyclopentane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(1-methyl-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-yl-2,1-benzothiazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide?
cis-(1S,3R)-3-acetamido-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]cyclopentane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(1-methyl-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-yl-2,1-benzothiazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide has a molecular weight of 1868.58 g/mol, XLogP of 24.39, 21 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-acetamido-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]cyclopentane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(1-methyl-2,3-dihydro-1H-pyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-(3-propan-2-yl-2,1-benzothiazol-5-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 167636074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).