cis-(1S,3R)-N-[5-chloro-4-(1,1-dimethyl-2,3-dihydropyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(1-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-3-[2-(dimethylamino)-2-oxoethyl]-N-[4-[7-fluoro-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide

C106H122Cl3F6N17O10 — CID 167677588

IUPACcis-(1S,3R)-N-[5-chloro-4-(1,1-dimethyl-2,3-dihydropyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(1-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-3-[2-(dimethylamino)-2-oxoethyl]-N-[4-[7-fluoro-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide
SMILESCC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)(C)O)c4c3)c(Cl)cn2)C1.CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)CO)c4c3)c(Cl)cn2)C1.CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3ccc4nn5c(c4c3)C(C)(C)CC5)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(F)(F)F)c2c1
InChIInChI=1S/C27H31ClN4O2.C27H31F4N5O2.2C26H30ClFN4O3/c1-16(33)11-17-5-4-6-19(12-17)26(34)30-24-14-20(22(28)15-29-24)18-7-8-23-21(13-18)25-27(2,3)9-10-32(25)31-23;1-15-13-32-23(34-26(38)18-7-5-6-17(8-18)9-24(37)35(3)4)12-20(15)19-10-21(28)25-22(11-19)36(14-33-25)16(2)27(29,30)31;1-14(33)8-15-6-5-7-16(9-15)25(34)30-22-12-18(20(27)13-29-22)17-10-19-23(21(28)11-17)31-32(4)24(19)26(2,3)35;1-14(13-33)25-20-9-18(10-22(28)24(20)31-32(25)3)19-11-23(29-12-21(19)27)30-26(35)17-6-4-5-16(8-17)7-15(2)34/h7-8,13-15,17,19H,4-6,9-12H2,1-3H3,(H,29,30,34);10-14,16-18H,5-9H2,1-4H3,(H,32,34,38);10-13,15-16,35H,5-9H2,1-4H3,(H,29,30,34);9-12,14,16-17,33H,4-8,13H2,1-3H3,(H,29,30,35)/t17-,19-;16?,17-,18+;15-,16-;14?,16-,17-/m0100/s1
InChIKeyVAXJDDMYDZFQKJ-UJMNFANTSA-N
MW2014.60 g/mol
LogP22.68
Rot. Bonds24

About cis-(1S,3R)-N-[5-chloro-4-(1,1-dimethyl-2,3-dihydropyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(1-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-3-[2-(dimethylamino)-2-oxoethyl]-N-[4-[7-fluoro-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide

cis-(1S,3R)-N-[5-chloro-4-(1,1-dimethyl-2,3-dihydropyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(1-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-3-[2-(dimethylamino)-2-oxoethyl]-N-[4-[7-fluoro-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 167677588) has the molecular formula C106H122Cl3F6N17O10 and a molecular weight of 2014.60 g/mol. Its IUPAC name is cis-(1S,3R)-N-[5-chloro-4-(1,1-dimethyl-2,3-dihydropyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(1-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-3-[2-(dimethylamino)-2-oxoethyl]-N-[4-[7-fluoro-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-N-[5-chloro-4-(1,1-dimethyl-2,3-dihydropyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(1-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-3-[2-(dimethylamino)-2-oxoethyl]-N-[4-[7-fluoro-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide
PubChem CID167677588
Molecular FormulaC106H122Cl3F6N17O10
Molecular Weight2014.60 g/mol
Exact Mass2011.85
IUPAC Namecis-(1S,3R)-N-[5-chloro-4-(1,1-dimethyl-2,3-dihydropyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(1-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-3-[2-(dimethylamino)-2-oxoethyl]-N-[4-[7-fluoro-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide
SMILESCC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)(C)O)c4c3)c(Cl)cn2)C1.CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)CO)c4c3)c(Cl)cn2)C1.CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3ccc4nn5c(c4c3)C(C)(C)CC5)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(F)(F)F)c2c1
InChIInChI=1S/C27H31ClN4O2.C27H31F4N5O2.2C26H30ClFN4O3/c1-16(33)11-17-5-4-6-19(12-17)26(34)30-24-14-20(22(28)15-29-24)18-7-8-23-21(13-18)25-27(2,3)9-10-32(25)31-23;1-15-13-32-23(34-26(38)18-7-5-6-17(8-18)9-24(37)35(3)4)12-20(15)19-10-21(28)25-22(11-19)36(14-33-25)16(2)27(29,30)31;1-14(33)8-15-6-5-7-16(9-15)25(34)30-22-12-18(20(27)13-29-22)17-10-19-23(21(28)11-17)31-32(4)24(19)26(2,3)35;1-14(13-33)25-20-9-18(10-22(28)24(20)31-32(25)3)19-11-23(29-12-21(19)27)30-26(35)17-6-4-5-16(8-17)7-15(2)34/h7-8,13-15,17,19H,4-6,9-12H2,1-3H3,(H,29,30,34);10-14,16-18H,5-9H2,1-4H3,(H,32,34,38);10-13,15-16,35H,5-9H2,1-4H3,(H,29,30,34);9-12,14,16-17,33H,4-8,13H2,1-3H3,(H,29,30,35)/t17-,19-;16?,17-,18+;15-,16-;14?,16-,17-/m0100/s1
InChIKeyVAXJDDMYDZFQKJ-UJMNFANTSA-N
XLogP22.68
TPSA351.22 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002014.60
LogP ≤ 522.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze cis-(1S,3R)-N-[5-chloro-4-(1,1-dimethyl-2,3-dihydropyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(1-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-3-[2-(dimethylamino)-2-oxoethyl]-N-[4-[7-fluoro-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

cis-(1S,3R)-N-[5-chloro-4-[3-(1,1-difluoro-2-hydroxypropan-2-yl)-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-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-[7-fluoro-2-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)indazol-5-yl]-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide
CID 158875453
methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-2-(4-chloropyrazol-1-yl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(R)-(5-chloro-2-pyridinyl)-hydroxymethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-2-(4,4-difluorocyclohexyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(R)-(4,4-difluorocyclohexyl)-hydroxymethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 159986049
cis-(1S,3R)-N-[5-chloro-4-(9-fluoro-4,4-dimethyl-1,3-dihydro-[1,4]oxazino[4,3-a]benzimidazol-7-yl)-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopent-4-ynyl)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;methane
CID 158638162
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
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-3-(2-hydroxypropan-2-yl)-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-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 160159076
cis-(1S,3R)-N-[5-chloro-4-(9-fluoro-4,4-dimethyl-1,3-dihydro-[1,4]oxazino[4,3-a]benzimidazol-7-yl)-2-pyridinyl]-3-(2-oxobutyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopent-4-ynyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[4-(7-fluoro-3-propan-2-ylbenzimidazol-5-yl)-5-methyl-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide
CID 167668591

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-[5-chloro-4-(1,1-dimethyl-2,3-dihydropyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(1-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-3-[2-(dimethylamino)-2-oxoethyl]-N-[4-[7-fluoro-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-N-[5-chloro-4-(1,1-dimethyl-2,3-dihydropyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(1-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-3-[2-(dimethylamino)-2-oxoethyl]-N-[4-[7-fluoro-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide (CID 167677588) is cis-(1S,3R)-N-[5-chloro-4-(1,1-dimethyl-2,3-dihydropyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(1-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-3-[2-(dimethylamino)-2-oxoethyl]-N-[4-[7-fluoro-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-N-[5-chloro-4-(1,1-dimethyl-2,3-dihydropyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(1-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-3-[2-(dimethylamino)-2-oxoethyl]-N-[4-[7-fluoro-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-N-[5-chloro-4-(1,1-dimethyl-2,3-dihydropyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(1-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-3-[2-(dimethylamino)-2-oxoethyl]-N-[4-[7-fluoro-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide is CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)(C)O)c4c3)c(Cl)cn2)C1.CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)CO)c4c3)c(Cl)cn2)C1.CC(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3ccc4nn5c(c4c3)C(C)(C)CC5)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(F)(F)F)c2c1.
What is the InChIKey of cis-(1S,3R)-N-[5-chloro-4-(1,1-dimethyl-2,3-dihydropyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(1-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-3-[2-(dimethylamino)-2-oxoethyl]-N-[4-[7-fluoro-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide?
The InChIKey is VAXJDDMYDZFQKJ-UJMNFANTSA-N. The full InChI is InChI=1S/C27H31ClN4O2.C27H31F4N5O2.2C26H30ClFN4O3/c1-16(33)11-17-5-4-6-19(12-17)26(34)30-24-14-20(22(28)15-29-24)18-7-8-23-21(13-18)25-27(2,3)9-10-32(25)31-23;1-15-13-32-23(34-26(38)18-7-5-6-17(8-18)9-24(37)35(3)4)12-20(15)19-10-21(28)25-22(11-19)36(14-33-25)16(2)27(29,30)31;1-14(33)8-15-6-5-7-16(9-15)25(34)30-22-12-18(20(27)13-29-22)17-10-19-23(21(28)11-17)31-32(4)24(19)26(2,3)35;1-14(13-33)25-20-9-18(10-22(28)24(20)31-32(25)3)19-11-23(29-12-21(19)27)30-26(35)17-6-4-5-16(8-17)7-15(2)34/h7-8,13-15,17,19H,4-6,9-12H2,1-3H3,(H,29,30,34);10-14,16-18H,5-9H2,1-4H3,(H,32,34,38);10-13,15-16,35H,5-9H2,1-4H3,(H,29,30,34);9-12,14,16-17,33H,4-8,13H2,1-3H3,(H,29,30,35)/t17-,19-;16?,17-,18+;15-,16-;14?,16-,17-/m0100/s1.
What are the key properties of cis-(1S,3R)-N-[5-chloro-4-(1,1-dimethyl-2,3-dihydropyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(1-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-3-[2-(dimethylamino)-2-oxoethyl]-N-[4-[7-fluoro-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide?
cis-(1S,3R)-N-[5-chloro-4-(1,1-dimethyl-2,3-dihydropyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(1-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-3-[2-(dimethylamino)-2-oxoethyl]-N-[4-[7-fluoro-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 2014.60 g/mol, XLogP of 22.68, 24 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-[5-chloro-4-(1,1-dimethyl-2,3-dihydropyrrolo[1,2-b]indazol-8-yl)-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(1-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-N-[5-chloro-4-[7-fluoro-3-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-2-pyridinyl]-3-(2-oxopropyl)cyclohexane-1-carboxamide;cis-(1S,3R)-3-[2-(dimethylamino)-2-oxoethyl]-N-[4-[7-fluoro-3-(1,1,1-trifluoropropan-2-yl)benzimidazol-5-yl]-5-methyl-2-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 167677588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).