N-[5-[1-amino-3-cyclopropyl-1-(3-methylphenyl)propyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone;1-[1-[3-[2-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-oxoethyl]-4-fluorophenyl]-3-cyclopropylpropyl]pyridin-2-one

C129H121F7N22O5 — CID 160712043

IUPACN-[5-[1-amino-3-cyclopropyl-1-(3-methylphenyl)propyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone;1-[1-[3-[2-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-oxoethyl]-4-fluorophenyl]-3-cyclopropylpropyl]pyridin-2-one
SMILESCc1cc(C(=O)Cc2cc(C(CCC3CC3)n3ccccc3=O)ccc2F)n(-c2ccc3ccnc(N)c3c2)n1.Cc1cc(C(=O)Cc2cc(C(NCC3CC3)c3ccccc3)ccc2F)n(-c2ccc3ccnc(N)c3c2)n1.Cc1cccc(C(N)(CCC2CC2)c2ccc(F)c(NC(=O)c3cc(C)nn3-c3ccc4ccnc(N)c4c3)c2)c1.Cc1nccc2ccc(-n3nc(C(=O)Nc4cc(C(N)(CCC5CC5)c5ccncc5)ccc4F)cc3C(F)(F)F)cc12
InChIInChI=1S/C33H33FN6O.C32H28F4N6O.C32H30FN5O2.C32H30FN5O/c1-20-4-3-5-24(16-20)33(36,14-12-22-6-7-22)25-9-11-28(34)29(18-25)38-32(41)30-17-21(2)39-40(30)26-10-8-23-13-15-37-31(35)27(23)19-26;1-19-25-17-24(6-4-21(25)9-15-39-19)42-29(32(34,35)36)18-28(41-42)30(43)40-27-16-23(5-7-26(27)33)31(37,12-8-20-2-3-20)22-10-13-38-14-11-22;1-20-16-29(38(36-20)25-10-8-22-13-14-35-32(34)26(22)19-25)30(39)18-24-17-23(9-11-27(24)33)28(12-7-21-5-6-21)37-15-3-2-4-31(37)40;1-20-15-29(38(37-20)26-11-9-22-13-14-35-32(34)27(22)18-26)30(39)17-25-16-24(10-12-28(25)33)31(36-19-21-7-8-21)23-5-3-2-4-6-23/h3-5,8-11,13,15-19,22H,6-7,12,14,36H2,1-2H3,(H2,35,37)(H,38,41);4-7,9-11,13-18,20H,2-3,8,12,37H2,1H3,(H,40,43);2-4,8-11,13-17,19,21,28H,5-7,12,18H2,1H3,(H2,34,35);2-6,9-16,18,21,31,36H,7-8,17,19H2,1H3,(H2,34,35)
InChIKeyRRZIQVJGMMABIF-UHFFFAOYSA-N
MW2192.52 g/mol
LogP25.11
Rot. Bonds34

About N-[5-[1-amino-3-cyclopropyl-1-(3-methylphenyl)propyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone;1-[1-[3-[2-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-oxoethyl]-4-fluorophenyl]-3-cyclopropylpropyl]pyridin-2-one

N-[5-[1-amino-3-cyclopropyl-1-(3-methylphenyl)propyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone;1-[1-[3-[2-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-oxoethyl]-4-fluorophenyl]-3-cyclopropylpropyl]pyridin-2-one (PubChem CID 160712043) has the molecular formula C129H121F7N22O5 and a molecular weight of 2192.52 g/mol. Its IUPAC name is N-[5-[1-amino-3-cyclopropyl-1-(3-methylphenyl)propyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone;1-[1-[3-[2-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-oxoethyl]-4-fluorophenyl]-3-cyclopropylpropyl]pyridin-2-one.

Molecular Properties

Compound NameN-[5-[1-amino-3-cyclopropyl-1-(3-methylphenyl)propyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone;1-[1-[3-[2-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-oxoethyl]-4-fluorophenyl]-3-cyclopropylpropyl]pyridin-2-one
PubChem CID160712043
Molecular FormulaC129H121F7N22O5
Molecular Weight2192.52 g/mol
Exact Mass2190.98
IUPAC NameN-[5-[1-amino-3-cyclopropyl-1-(3-methylphenyl)propyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone;1-[1-[3-[2-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-oxoethyl]-4-fluorophenyl]-3-cyclopropylpropyl]pyridin-2-one
SMILESCc1cc(C(=O)Cc2cc(C(CCC3CC3)n3ccccc3=O)ccc2F)n(-c2ccc3ccnc(N)c3c2)n1.Cc1cc(C(=O)Cc2cc(C(NCC3CC3)c3ccccc3)ccc2F)n(-c2ccc3ccnc(N)c3c2)n1.Cc1cccc(C(N)(CCC2CC2)c2ccc(F)c(NC(=O)c3cc(C)nn3-c3ccc4ccnc(N)c4c3)c2)c1.Cc1nccc2ccc(-n3nc(C(=O)Nc4cc(C(N)(CCC5CC5)c5ccncc5)ccc4F)cc3C(F)(F)F)cc12
InChIInChI=1S/C33H33FN6O.C32H28F4N6O.C32H30FN5O2.C32H30FN5O/c1-20-4-3-5-24(16-20)33(36,14-12-22-6-7-22)25-9-11-28(34)29(18-25)38-32(41)30-17-21(2)39-40(30)26-10-8-23-13-15-37-31(35)27(23)19-26;1-19-25-17-24(6-4-21(25)9-15-39-19)42-29(32(34,35)36)18-28(41-42)30(43)40-27-16-23(5-7-26(27)33)31(37,12-8-20-2-3-20)22-10-13-38-14-11-22;1-20-16-29(38(36-20)25-10-8-22-13-14-35-32(34)26(22)19-25)30(39)18-24-17-23(9-11-27(24)33)28(12-7-21-5-6-21)37-15-3-2-4-31(37)40;1-20-15-29(38(37-20)26-11-9-22-13-14-35-32(34)27(22)18-26)30(39)17-25-16-24(10-12-28(25)33)31(36-19-21-7-8-21)23-5-3-2-4-6-23/h3-5,8-11,13,15-19,22H,6-7,12,14,36H2,1-2H3,(H2,35,37)(H,38,41);4-7,9-11,13-18,20H,2-3,8,12,37H2,1H3,(H,40,43);2-4,8-11,13-17,19,21,28H,5-7,12,18H2,1H3,(H2,34,35);2-6,9-16,18,21,31,36H,7-8,17,19H2,1H3,(H2,34,35)
InChIKeyRRZIQVJGMMABIF-UHFFFAOYSA-N
XLogP25.11
TPSA392.20 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds34
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002192.52
LogP ≤ 525.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze N-[5-[1-amino-3-cyclopropyl-1-(3-methylphenyl)propyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone;1-[1-[3-[2-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-oxoethyl]-4-fluorophenyl]-3-cyclopropylpropyl]pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[[[2-[2-[3-amino-3-[3-[[1-(1-aminoisoquinolin-7-yl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-4-fluorophenyl]-3-pyridin-4-ylpropyl]cyclopropyl]cyclopropyl]methylamino]-phenylmethyl]-2-fluorophenyl]-1-(1-aminoisoquinolin-7-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 146536070
Bis[3,4-ditert-butyl-7-[5-[[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]isoquinolin-1-yl]carbamic acid
CID 156066671
N-benzyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-cyclohexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(3,3-diphenylpropyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-hexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(3-phenylpropyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 157141744
(4R)-4-[3-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-indazol-1-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-quinolin-3-yl-2-pyridinyl)ethyl]acetamide
CID 157181828
5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-1-[[(2R)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[5,6-dimethyl-3-(trifluoromethyl)indazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[5,6-dimethyl-3-(trifluoromethyl)indazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157314839
N-[5-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157356552
N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;N-[3-(3-fluorophenyl)phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 157356698
N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;2-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone
CID 157407134
8-tert-butyl-3-[3-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-[5-(difluoromethyl)-1-methylpyrazol-4-yl]isoquinoline;8-tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;8-tert-butyl-3-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]isoquinoline;5-tert-butyl-2,4-dihydro-1H-isoquinolin-3-one;8-tert-butyl-3-(2,5-dihydropyrrol-1-yl)isoquinoline;8-tert-butyl-3-(2,2-dimethylpyrrolidin-1-yl)isoquinoline;8-tert-butyl-3-(3,3-dimethylpyrrolidin-1-yl)isoquinoline;5-tert-butyl-2-[6-(methylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one
CID 157537924
N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;1-(1-aminoisoquinolin-7-yl)-N-[5-[1-[[(R)-tert-butylsulfinyl]amino]-3-cyclopropyl-1-pyridin-4-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;carbon dioxide;methanol;7-[5-(trifluoromethyl)pyrazol-1-yl]isoquinolin-1-amine;hydrochloride
CID 157631076
N-tert-butyl-N-methyl-4-[4-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]pyrazol-1-yl]piperidine-1-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,3,3,3-pentafluoropropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1-pyridin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 157809409
2-(3-acetyl-2-methylindol-1-yl)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylindazol-1-yl)pentan-2-one;5-[2-[(1S)-1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157863488

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-amino-3-cyclopropyl-1-(3-methylphenyl)propyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone;1-[1-[3-[2-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-oxoethyl]-4-fluorophenyl]-3-cyclopropylpropyl]pyridin-2-one?
The IUPAC name of N-[5-[1-amino-3-cyclopropyl-1-(3-methylphenyl)propyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone;1-[1-[3-[2-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-oxoethyl]-4-fluorophenyl]-3-cyclopropylpropyl]pyridin-2-one (CID 160712043) is N-[5-[1-amino-3-cyclopropyl-1-(3-methylphenyl)propyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone;1-[1-[3-[2-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-oxoethyl]-4-fluorophenyl]-3-cyclopropylpropyl]pyridin-2-one.
What is the SMILES notation for N-[5-[1-amino-3-cyclopropyl-1-(3-methylphenyl)propyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone;1-[1-[3-[2-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-oxoethyl]-4-fluorophenyl]-3-cyclopropylpropyl]pyridin-2-one?
The canonical SMILES for N-[5-[1-amino-3-cyclopropyl-1-(3-methylphenyl)propyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone;1-[1-[3-[2-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-oxoethyl]-4-fluorophenyl]-3-cyclopropylpropyl]pyridin-2-one is Cc1cc(C(=O)Cc2cc(C(CCC3CC3)n3ccccc3=O)ccc2F)n(-c2ccc3ccnc(N)c3c2)n1.Cc1cc(C(=O)Cc2cc(C(NCC3CC3)c3ccccc3)ccc2F)n(-c2ccc3ccnc(N)c3c2)n1.Cc1cccc(C(N)(CCC2CC2)c2ccc(F)c(NC(=O)c3cc(C)nn3-c3ccc4ccnc(N)c4c3)c2)c1.Cc1nccc2ccc(-n3nc(C(=O)Nc4cc(C(N)(CCC5CC5)c5ccncc5)ccc4F)cc3C(F)(F)F)cc12.
What is the InChIKey of N-[5-[1-amino-3-cyclopropyl-1-(3-methylphenyl)propyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone;1-[1-[3-[2-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-oxoethyl]-4-fluorophenyl]-3-cyclopropylpropyl]pyridin-2-one?
The InChIKey is RRZIQVJGMMABIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33FN6O.C32H28F4N6O.C32H30FN5O2.C32H30FN5O/c1-20-4-3-5-24(16-20)33(36,14-12-22-6-7-22)25-9-11-28(34)29(18-25)38-32(41)30-17-21(2)39-40(30)26-10-8-23-13-15-37-31(35)27(23)19-26;1-19-25-17-24(6-4-21(25)9-15-39-19)42-29(32(34,35)36)18-28(41-42)30(43)40-27-16-23(5-7-26(27)33)31(37,12-8-20-2-3-20)22-10-13-38-14-11-22;1-20-16-29(38(36-20)25-10-8-22-13-14-35-32(34)26(22)19-25)30(39)18-24-17-23(9-11-27(24)33)28(12-7-21-5-6-21)37-15-3-2-4-31(37)40;1-20-15-29(38(37-20)26-11-9-22-13-14-35-32(34)27(22)18-26)30(39)17-25-16-24(10-12-28(25)33)31(36-19-21-7-8-21)23-5-3-2-4-6-23/h3-5,8-11,13,15-19,22H,6-7,12,14,36H2,1-2H3,(H2,35,37)(H,38,41);4-7,9-11,13-18,20H,2-3,8,12,37H2,1H3,(H,40,43);2-4,8-11,13-17,19,21,28H,5-7,12,18H2,1H3,(H2,34,35);2-6,9-16,18,21,31,36H,7-8,17,19H2,1H3,(H2,34,35).
What are the key properties of N-[5-[1-amino-3-cyclopropyl-1-(3-methylphenyl)propyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone;1-[1-[3-[2-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-oxoethyl]-4-fluorophenyl]-3-cyclopropylpropyl]pyridin-2-one?
N-[5-[1-amino-3-cyclopropyl-1-(3-methylphenyl)propyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone;1-[1-[3-[2-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-oxoethyl]-4-fluorophenyl]-3-cyclopropylpropyl]pyridin-2-one has a molecular weight of 2192.52 g/mol, XLogP of 25.11, 34 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-amino-3-cyclopropyl-1-(3-methylphenyl)propyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone;1-[1-[3-[2-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-oxoethyl]-4-fluorophenyl]-3-cyclopropylpropyl]pyridin-2-one is sourced from PubChem (CID 160712043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).