1-[5-cyclopropyl-3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]ethanone;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine

C79H84F4N24OS2 — CID 159622142

IUPAC1-[5-cyclopropyl-3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]ethanone;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(=O)n1nc(Nc2ncnc(N3CCCC3c3ccc(F)cc3)n2)cc1C1CC1.CC(C)c1cnc(Nc2cc(N3CCCC3c3ccc(F)cc3)ncn2)s1.CN(c1cc(C2CC2)[nH]n1)c1ncnc(N2CCCC2c2ccc(F)cc2)n1.Cc1cnc(Nc2cc(N3CCCC3c3ccc(F)cc3)ncn2)s1
InChIInChI=1S/C21H22FN7O.C20H22FN7.C20H22FN5S.C18H18FN5S/c1-13(30)29-18(15-4-5-15)11-19(27-29)25-20-23-12-24-21(26-20)28-10-2-3-17(28)14-6-8-16(22)9-7-14;1-27(18-11-16(25-26-18)13-4-5-13)19-22-12-23-20(24-19)28-10-2-3-17(28)14-6-8-15(21)9-7-14;1-13(2)17-11-22-20(27-17)25-18-10-19(24-12-23-18)26-9-3-4-16(26)14-5-7-15(21)8-6-14;1-12-10-20-18(25-12)23-16-9-17(22-11-21-16)24-8-2-3-15(24)13-4-6-14(19)7-5-13/h6-9,11-12,15,17H,2-5,10H2,1H3,(H,23,24,25,26,27);6-9,11-13,17H,2-5,10H2,1H3,(H,25,26);5-8,10-13,16H,3-4,9H2,1-2H3,(H,22,23,24,25);4-7,9-11,15H,2-3,8H2,1H3,(H,20,21,22,23)
InChIKeyMOAIRXWOGSWOSV-UHFFFAOYSA-N
MW1525.83 g/mol
LogP17.30
Rot. Bonds19

About 1-[5-cyclopropyl-3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]ethanone;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine

1-[5-cyclopropyl-3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]ethanone;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 159622142) has the molecular formula C79H84F4N24OS2 and a molecular weight of 1525.83 g/mol. Its IUPAC name is 1-[5-cyclopropyl-3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]ethanone;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name1-[5-cyclopropyl-3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]ethanone;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine
PubChem CID159622142
Molecular FormulaC79H84F4N24OS2
Molecular Weight1525.83 g/mol
Exact Mass1524.66
IUPAC Name1-[5-cyclopropyl-3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]ethanone;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(=O)n1nc(Nc2ncnc(N3CCCC3c3ccc(F)cc3)n2)cc1C1CC1.CC(C)c1cnc(Nc2cc(N3CCCC3c3ccc(F)cc3)ncn2)s1.CN(c1cc(C2CC2)[nH]n1)c1ncnc(N2CCCC2c2ccc(F)cc2)n1.Cc1cnc(Nc2cc(N3CCCC3c3ccc(F)cc3)ncn2)s1
InChIInChI=1S/C21H22FN7O.C20H22FN7.C20H22FN5S.C18H18FN5S/c1-13(30)29-18(15-4-5-15)11-19(27-29)25-20-23-12-24-21(26-20)28-10-2-3-17(28)14-6-8-16(22)9-7-14;1-27(18-11-16(25-26-18)13-4-5-13)19-22-12-23-20(24-19)28-10-2-3-17(28)14-6-8-15(21)9-7-14;1-13(2)17-11-22-20(27-17)25-18-10-19(24-12-23-18)26-9-3-4-16(26)14-5-7-15(21)8-6-14;1-12-10-20-18(25-12)23-16-9-17(22-11-21-16)24-8-2-3-15(24)13-4-6-14(19)7-5-13/h6-9,11-12,15,17H,2-5,10H2,1H3,(H,23,24,25,26,27);6-9,11-13,17H,2-5,10H2,1H3,(H,25,26);5-8,10-13,16H,3-4,9H2,1-2H3,(H,22,23,24,25);4-7,9-11,15H,2-3,8H2,1H3,(H,20,21,22,23)
InChIKeyMOAIRXWOGSWOSV-UHFFFAOYSA-N
XLogP17.30
TPSA270.54 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001525.83
LogP ≤ 517.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 1-[5-cyclopropyl-3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]ethanone;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine with MolForge

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Related Compounds

1-[1-(cyclopropylmethyl)-3-(3-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 158109605
N-[4-[4-(3,3-difluoropiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;N-[4-[4-(3,3-difluoropyrrolidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;N-[4-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]pyrimidin-2-yl]sulfanylphenyl]propanamide;molecular hydrogen
CID 158969693
1-cyclopropyl-2-[4-[[4-[(3-cyclopropyl-2H-pyrrol-5-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;4-methyl-6-(4-methylpiperazin-1-yl)-N-[5-methyl-4-[piperidin-1-yl(thiophen-2-yl)methyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine
CID 159824495
tris(3,5-dimethylpyridin-2-amine);4,5-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;4,5-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;3-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyrimidin-2-amine;5-methylpyrazin-2-amine;6-methylpyridazin-3-amine;2-methylpyridin-3-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;5-methylpyridin-2-amine;5-methylpyridin-3-amine;6-methylpyridin-3-amine;N-(5-methyl-2-pyridinyl)acetamide;2-methylpyrimidin-5-amine;5-methylpyrimidin-2-amine;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;5-methyl-4-(trifluoromethyl)pyrimidin-2-amine;N,N,5-trimethyl-1,3-thiazol-2-amine
CID 160308173
1-[5-cyclopropyl-3-[[4-cyclopropyl-6-[1-(2,4-difluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]ethanone;6-cyclopropyl-4-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]-2-N-methyl-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(1,5-dimethylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[1-(oxan-4-yl)pyrazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 157855511
1-[3-[[4-amino-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-5-cyclopropylpyrazol-1-yl]ethanone;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-4-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine
CID 158314429
N-[4-[4-(1,3-diaminobut-2-enylideneamino)-6-[(3S)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide;N-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide;molecular hydrogen
CID 158335657
N-[5-[2-(2-acetamido-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide
CID 158504112
6-[2-(2-chloro-4-fluorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluoro-2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;2-[[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
CID 158982702
N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide
CID 159014611
N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide;N-[4-[4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide;N-[4-[4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide;molecular hydrogen
CID 159297168
1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-(5-tert-butyl-1H-pyrazol-3-yl)urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide
CID 159431659

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclopropyl-3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]ethanone;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 1-[5-cyclopropyl-3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]ethanone;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine (CID 159622142) is 1-[5-cyclopropyl-3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]ethanone;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 1-[5-cyclopropyl-3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]ethanone;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 1-[5-cyclopropyl-3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]ethanone;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine is CC(=O)n1nc(Nc2ncnc(N3CCCC3c3ccc(F)cc3)n2)cc1C1CC1.CC(C)c1cnc(Nc2cc(N3CCCC3c3ccc(F)cc3)ncn2)s1.CN(c1cc(C2CC2)[nH]n1)c1ncnc(N2CCCC2c2ccc(F)cc2)n1.Cc1cnc(Nc2cc(N3CCCC3c3ccc(F)cc3)ncn2)s1.
What is the InChIKey of 1-[5-cyclopropyl-3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]ethanone;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is MOAIRXWOGSWOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7O.C20H22FN7.C20H22FN5S.C18H18FN5S/c1-13(30)29-18(15-4-5-15)11-19(27-29)25-20-23-12-24-21(26-20)28-10-2-3-17(28)14-6-8-16(22)9-7-14;1-27(18-11-16(25-26-18)13-4-5-13)19-22-12-23-20(24-19)28-10-2-3-17(28)14-6-8-15(21)9-7-14;1-13(2)17-11-22-20(27-17)25-18-10-19(24-12-23-18)26-9-3-4-16(26)14-5-7-15(21)8-6-14;1-12-10-20-18(25-12)23-16-9-17(22-11-21-16)24-8-2-3-15(24)13-4-6-14(19)7-5-13/h6-9,11-12,15,17H,2-5,10H2,1H3,(H,23,24,25,26,27);6-9,11-13,17H,2-5,10H2,1H3,(H,25,26);5-8,10-13,16H,3-4,9H2,1-2H3,(H,22,23,24,25);4-7,9-11,15H,2-3,8H2,1H3,(H,20,21,22,23).
What are the key properties of 1-[5-cyclopropyl-3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]ethanone;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine?
1-[5-cyclopropyl-3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]ethanone;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 1525.83 g/mol, XLogP of 17.30, 19 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclopropyl-3-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]ethanone;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine;N-[6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 159622142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).