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

C79H80Cl2F3N25S — CID 158982702

IUPAC6-[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
SMILESCc1cc(F)ccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.Fc1ccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)c(Cl)c1.N#Cc1cnc(Nc2cc(N3CCCC3c3ccc(F)cc3)ncn2)s1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccccc2Cl)n1
InChIInChI=1S/C21H23FN6.C20H20ClFN6.C20H22ClN7.C18H15FN6S/c1-13-9-15(22)6-7-16(13)18-3-2-8-28(18)21-11-19(23-12-24-21)25-20-10-17(26-27-20)14-4-5-14;21-15-8-13(22)5-6-14(15)17-2-1-7-28(17)20-10-18(23-11-24-20)25-19-9-16(26-27-19)12-3-4-12;21-14-5-2-1-4-13(14)16-6-3-9-28(16)19-11-17(24-20(22)25-19)23-18-10-15(26-27-18)12-7-8-12;19-13-5-3-12(4-6-13)15-2-1-7-25(15)17-8-16(22-11-23-17)24-18-21-10-14(9-20)26-18/h6-7,9-12,14,18H,2-5,8H2,1H3,(H2,23,24,25,26,27);5-6,8-12,17H,1-4,7H2,(H2,23,24,25,26,27);1-2,4-5,10-12,16H,3,6-9H2,(H4,22,23,24,25,26,27);3-6,8,10-11,15H,1-2,7H2,(H,21,22,23,24)
InChIKeyJPEXLQMJRLXFIK-UHFFFAOYSA-N
MW1539.65 g/mol
LogP17.99
Rot. Bonds19

About 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

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 (PubChem CID 158982702) has the molecular formula C79H80Cl2F3N25S and a molecular weight of 1539.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID158982702
Molecular FormulaC79H80Cl2F3N25S
Molecular Weight1539.65 g/mol
Exact Mass1537.61
IUPAC Name6-[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
SMILESCc1cc(F)ccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.Fc1ccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)c(Cl)c1.N#Cc1cnc(Nc2cc(N3CCCC3c3ccc(F)cc3)ncn2)s1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccccc2Cl)n1
InChIInChI=1S/C21H23FN6.C20H20ClFN6.C20H22ClN7.C18H15FN6S/c1-13-9-15(22)6-7-16(13)18-3-2-8-28(18)21-11-19(23-12-24-21)25-20-10-17(26-27-20)14-4-5-14;21-15-8-13(22)5-6-14(15)17-2-1-7-28(17)20-10-18(23-11-24-20)25-19-9-16(26-27-19)12-3-4-12;21-14-5-2-1-4-13(14)16-6-3-9-28(16)19-11-17(24-20(22)25-19)23-18-10-15(26-27-18)12-7-8-12;19-13-5-3-12(4-6-13)15-2-1-7-25(15)17-8-16(22-11-23-17)24-18-21-10-14(9-20)26-18/h6-7,9-12,14,18H,2-5,8H2,1H3,(H2,23,24,25,26,27);5-6,8-12,17H,1-4,7H2,(H2,23,24,25,26,27);1-2,4-5,10-12,16H,3,6-9H2,(H4,22,23,24,25,26,27);3-6,8,10-11,15H,1-2,7H2,(H,21,22,23,24)
InChIKeyJPEXLQMJRLXFIK-UHFFFAOYSA-N
XLogP17.99
TPSA312.94 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms110
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001539.65
LogP ≤ 517.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(F)ccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.Fc1ccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)c(Cl)c1.N#Cc1cnc(Nc2cc(N3CCCC3c3ccc(F)cc3)ncn2)s1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccccc2Cl)n1.
What is the InChIKey of 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?
The InChIKey is JPEXLQMJRLXFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6.C20H20ClFN6.C20H22ClN7.C18H15FN6S/c1-13-9-15(22)6-7-16(13)18-3-2-8-28(18)21-11-19(23-12-24-21)25-20-10-17(26-27-20)14-4-5-14;21-15-8-13(22)5-6-14(15)17-2-1-7-28(17)20-10-18(23-11-24-20)25-19-9-16(26-27-19)12-3-4-12;21-14-5-2-1-4-13(14)16-6-3-9-28(16)19-11-17(24-20(22)25-19)23-18-10-15(26-27-18)12-7-8-12;19-13-5-3-12(4-6-13)15-2-1-7-25(15)17-8-16(22-11-23-17)24-18-21-10-14(9-20)26-18/h6-7,9-12,14,18H,2-5,8H2,1H3,(H2,23,24,25,26,27);5-6,8-12,17H,1-4,7H2,(H2,23,24,25,26,27);1-2,4-5,10-12,16H,3,6-9H2,(H4,22,23,24,25,26,27);3-6,8,10-11,15H,1-2,7H2,(H,21,22,23,24).
What are the key properties of 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?
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 has a molecular weight of 1539.65 g/mol, XLogP of 17.99, 19 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158982702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).