5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;4-fluoro-5-methyl-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide

C110H107BrCl4F3N23O6 — CID 159739829

IUPAC5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;4-fluoro-5-methyl-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCC(C)c1nn(C)cc1C1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.CCc1nn(C)cc1C1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.C[C@H]1C[C@@]1(NC(=O)c1cc2c(F)c(Cl)ccc2[nH]1)c1ccn(C)c1.Cc1ccc2[nH]c(C(=O)N[C@]3(c4cnn(C)c4)C[C@H]3C)cc2c1F.Cn1cc(C2(NC(=O)c3cc4cc(Br)cc(F)c4[nH]3)CC2)cn1.O=C(NC1(c2cnn(-c3ccccc3)c2)CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C21H17ClN4O.C19H21ClN4O.C18H17ClFN3O.C18H19ClN4O.C18H19FN4O.C16H14BrFN4O/c22-16-6-7-18-14(10-16)11-19(24-18)20(27)25-21(8-9-21)15-12-23-26(13-15)17-4-2-1-3-5-17;1-11(2)17-14(10-24(3)23-17)19(6-7-19)22-18(25)16-9-12-8-13(20)4-5-15(12)21-16;1-10-8-18(10,11-5-6-23(2)9-11)22-17(24)15-7-12-14(21-15)4-3-13(19)16(12)20;1-3-14-13(10-23(2)22-14)18(6-7-18)21-17(24)16-9-11-8-12(19)4-5-15(11)20-16;1-10-4-5-14-13(16(10)19)6-15(21-14)17(24)22-18(7-11(18)2)12-8-20-23(3)9-12;1-22-8-10(7-19-22)16(2-3-16)21-15(23)13-5-9-4-11(17)6-12(18)14(9)20-13/h1-7,10-13,24H,8-9H2,(H,25,27);4-5,8-11,21H,6-7H2,1-3H3,(H,22,25);3-7,9-10,21H,8H2,1-2H3,(H,22,24);4-5,8-10,20H,3,6-7H2,1-2H3,(H,21,24);4-6,8-9,11,21H,7H2,1-3H3,(H,22,24);4-8,20H,2-3H2,1H3,(H,21,23)/t;;10-,18-;;11-,18-;/m..0.1./s1
InChIKeyNCHRUIHASYRJRO-HNTWXZKBSA-N
MW2125.93 g/mol
LogP22.26
Rot. Bonds21

About 5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;4-fluoro-5-methyl-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide

5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;4-fluoro-5-methyl-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (PubChem CID 159739829) has the molecular formula C110H107BrCl4F3N23O6 and a molecular weight of 2125.93 g/mol. Its IUPAC name is 5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;4-fluoro-5-methyl-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;4-fluoro-5-methyl-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
PubChem CID159739829
Molecular FormulaC110H107BrCl4F3N23O6
Molecular Weight2125.93 g/mol
Exact Mass2121.67
IUPAC Name5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;4-fluoro-5-methyl-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
SMILESCC(C)c1nn(C)cc1C1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.CCc1nn(C)cc1C1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.C[C@H]1C[C@@]1(NC(=O)c1cc2c(F)c(Cl)ccc2[nH]1)c1ccn(C)c1.Cc1ccc2[nH]c(C(=O)N[C@]3(c4cnn(C)c4)C[C@H]3C)cc2c1F.Cn1cc(C2(NC(=O)c3cc4cc(Br)cc(F)c4[nH]3)CC2)cn1.O=C(NC1(c2cnn(-c3ccccc3)c2)CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C21H17ClN4O.C19H21ClN4O.C18H17ClFN3O.C18H19ClN4O.C18H19FN4O.C16H14BrFN4O/c22-16-6-7-18-14(10-16)11-19(24-18)20(27)25-21(8-9-21)15-12-23-26(13-15)17-4-2-1-3-5-17;1-11(2)17-14(10-24(3)23-17)19(6-7-19)22-18(25)16-9-12-8-13(20)4-5-15(12)21-16;1-10-8-18(10,11-5-6-23(2)9-11)22-17(24)15-7-12-14(21-15)4-3-13(19)16(12)20;1-3-14-13(10-23(2)22-14)18(6-7-18)21-17(24)16-9-11-8-12(19)4-5-15(11)20-16;1-10-4-5-14-13(16(10)19)6-15(21-14)17(24)22-18(7-11(18)2)12-8-20-23(3)9-12;1-22-8-10(7-19-22)16(2-3-16)21-15(23)13-5-9-4-11(17)6-12(18)14(9)20-13/h1-7,10-13,24H,8-9H2,(H,25,27);4-5,8-11,21H,6-7H2,1-3H3,(H,22,25);3-7,9-10,21H,8H2,1-2H3,(H,22,24);4-5,8-10,20H,3,6-7H2,1-2H3,(H,21,24);4-6,8-9,11,21H,7H2,1-3H3,(H,22,24);4-8,20H,2-3H2,1H3,(H,21,23)/t;;10-,18-;;11-,18-;/m..0.1./s1
InChIKeyNCHRUIHASYRJRO-HNTWXZKBSA-N
XLogP22.26
TPSA363.37 Ų
H-Bond Donors12
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002125.93
LogP ≤ 522.26
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1017

Analyze 5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;4-fluoro-5-methyl-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-[2-[3-[3-[1-[4-[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]ethyl]pyrazol-1-yl]-3-fluorophenyl]propan-2-yl]-2-methylphenyl]pyrrolidin-1-yl]ethyl]-1H-indole-2-carboxamide
CID 123895700
5-chloro-N-[1-[methyl(methylsulfonyl)amino]propan-2-yl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylsulfonylazetidin-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-2-ylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-(1-pyridin-3-ylcyclopropyl)-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 157339752
1-[3-[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]phenyl]-5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]indole-2-carboxamide
CID 137379672
5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;ethane;5-methyl-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide
CID 144935683
5-chloro-N-[1-[1-(4-fluorophenyl)pyrazol-4-yl]-2-methylcyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 145277120
bis(5-chloro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide);5-chloro-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 157189622
2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-phenylethynyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 4-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclohexane-1-carboxylate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclohexylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-piperidin-3-ylamino]-2-oxoethyl]indazole-3-carboxamide
CID 157294352
5-bromo-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-(4-phenyloxan-4-yl)-1H-indole-2-carboxamide
CID 157356102
5-bromo-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-bromo-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclohexyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 157394513
2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-pyrimidin-5-ylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;1-[2-[(3-aminocyclobutyl)methyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(3-cyclopropyl-2-oxopropyl)indazole-3-carboxamide
CID 157496420
5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;4-fluoro-5-methyl-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 157719782
5-bromo-N-[2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 157890761

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;4-fluoro-5-methyl-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;4-fluoro-5-methyl-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide (CID 159739829) is 5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;4-fluoro-5-methyl-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;4-fluoro-5-methyl-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;4-fluoro-5-methyl-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is CC(C)c1nn(C)cc1C1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.CCc1nn(C)cc1C1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.C[C@H]1C[C@@]1(NC(=O)c1cc2c(F)c(Cl)ccc2[nH]1)c1ccn(C)c1.Cc1ccc2[nH]c(C(=O)N[C@]3(c4cnn(C)c4)C[C@H]3C)cc2c1F.Cn1cc(C2(NC(=O)c3cc4cc(Br)cc(F)c4[nH]3)CC2)cn1.O=C(NC1(c2cnn(-c3ccccc3)c2)CC1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;4-fluoro-5-methyl-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
The InChIKey is NCHRUIHASYRJRO-HNTWXZKBSA-N. The full InChI is InChI=1S/C21H17ClN4O.C19H21ClN4O.C18H17ClFN3O.C18H19ClN4O.C18H19FN4O.C16H14BrFN4O/c22-16-6-7-18-14(10-16)11-19(24-18)20(27)25-21(8-9-21)15-12-23-26(13-15)17-4-2-1-3-5-17;1-11(2)17-14(10-24(3)23-17)19(6-7-19)22-18(25)16-9-12-8-13(20)4-5-15(12)21-16;1-10-8-18(10,11-5-6-23(2)9-11)22-17(24)15-7-12-14(21-15)4-3-13(19)16(12)20;1-3-14-13(10-23(2)22-14)18(6-7-18)21-17(24)16-9-11-8-12(19)4-5-15(11)20-16;1-10-4-5-14-13(16(10)19)6-15(21-14)17(24)22-18(7-11(18)2)12-8-20-23(3)9-12;1-22-8-10(7-19-22)16(2-3-16)21-15(23)13-5-9-4-11(17)6-12(18)14(9)20-13/h1-7,10-13,24H,8-9H2,(H,25,27);4-5,8-11,21H,6-7H2,1-3H3,(H,22,25);3-7,9-10,21H,8H2,1-2H3,(H,22,24);4-5,8-10,20H,3,6-7H2,1-2H3,(H,21,24);4-6,8-9,11,21H,7H2,1-3H3,(H,22,24);4-8,20H,2-3H2,1H3,(H,21,23)/t;;10-,18-;;11-,18-;/m..0.1./s1.
What are the key properties of 5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;4-fluoro-5-methyl-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide?
5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;4-fluoro-5-methyl-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide has a molecular weight of 2125.93 g/mol, XLogP of 22.26, 21 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[(1S,2S)-2-methyl-1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methyl-3-propan-2-ylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;4-fluoro-5-methyl-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 159739829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).