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

C106H122Cl3F2N15O8S — CID 158988602

About 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

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 (PubChem CID 158988602) has the molecular formula C106H122Cl3F2N15O8S and a molecular weight of 1910.66 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158988602
• Molecular Formula: C106H122Cl3F2N15O8S
• Molecular Weight: 1910.66 g/mol
• Exact Mass: 1907.84
• IUPAC Name: 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
• SMILES: 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.Cc1cnc(NC(=O)[C@H]2CCC[C@@H](CC(=O)N(C)C)C2)cc1-c1cc(F)c2ncn(C(C)C)c2c1
• InChI: InChI=1S/C28H31ClFN3O2.C27H34FN5O2.C26H29ClN4O2.C25H28ClN3O2S/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;1-16(2)33-15-30-26-22(28)11-20(12-23(26)33)21-13-24(29-14-17(21)3)31-27(35)19-8-6-7-18(9-19)10-25(34)32(4)5;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/h12-15,18-19H,3-11H2,1-2H3,(H,31,33,35);11-16,18-19H,6-10H2,1-5H3,(H,29,31,35);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)/t18-,19-;18-,19+;15?,17-,19-;16-,18-/m0100/s1
• InChIKey: JPWPACOSKRNDMR-DHAYLVGCSA-N
• XLogP: 25.37
• TPSA: 300.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 22
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1910.66
LogP ≤ 5	25.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 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.Cc1cnc(NC(=O)[C@H]2CCC[C@@H](CC(=O)N(C)C)C2)cc1-c1cc(F)c2ncn(C(C)C)c2c1.

What is the InChIKey of 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?

The InChIKey is JPWPACOSKRNDMR-DHAYLVGCSA-N. The full InChI is InChI=1S/C28H31ClFN3O2.C27H34FN5O2.C26H29ClN4O2.C25H28ClN3O2S/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;1-16(2)33-15-30-26-22(28)11-20(12-23(26)33)21-13-24(29-14-17(21)3)31-27(35)19-8-6-7-18(9-19)10-25(34)32(4)5;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/h12-15,18-19H,3-11H2,1-2H3,(H,31,33,35);11-16,18-19H,6-10H2,1-5H3,(H,29,31,35);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)/t18-,19-;18-,19+;15?,17-,19-;16-,18-/m0100/s1.

What are the key properties of 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?

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 has a molecular weight of 1910.66 g/mol, XLogP of 25.37, 22 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158988602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).