6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine

C124H135ClF4N36O — CID 159128194

IUPAC6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCOc1cccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)c1.Cc1cccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)c1.Cc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.Clc1cccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)c1.FC(F)(F)c1cccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)c1.Fc1cccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)c1
InChIInChI=1S/C21H21F3N6.C21H24N6O.2C21H24N6.C20H21ClN6.C20H21FN6/c22-21(23,24)15-4-1-3-14(9-15)17-5-2-8-30(17)20-11-18(25-12-26-20)27-19-10-16(28-29-19)13-6-7-13;1-28-16-5-2-4-15(10-16)18-6-3-9-27(18)21-12-19(22-13-23-21)24-20-11-17(25-26-20)14-7-8-14;1-14-4-2-5-16(10-14)18-6-3-9-27(18)21-12-19(22-13-23-21)24-20-11-17(25-26-20)15-7-8-15;1-14-5-2-3-6-16(14)18-7-4-10-27(18)21-12-19(22-13-23-21)24-20-11-17(25-26-20)15-8-9-15;2*21-15-4-1-3-14(9-15)17-5-2-8-27(17)20-11-18(22-12-23-20)24-19-10-16(25-26-19)13-6-7-13/h1,3-4,9-13,17H,2,5-8H2,(H2,25,26,27,28,29);2,4-5,10-14,18H,3,6-9H2,1H3,(H2,22,23,24,25,26);2,4-5,10-13,15,18H,3,6-9H2,1H3,(H2,22,23,24,25,26);2-3,5-6,11-13,15,18H,4,7-10H2,1H3,(H2,22,23,24,25,26);2*1,3-4,9-13,17H,2,5-8H2,(H2,22,23,24,25,26)
InChIKeyKGNSDDYZXXZLFH-UHFFFAOYSA-N
MW2257.14 g/mol
LogP27.41
Rot. Bonds31

About 6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine

6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 159128194) has the molecular formula C124H135ClF4N36O and a molecular weight of 2257.14 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID159128194
Molecular FormulaC124H135ClF4N36O
Molecular Weight2257.14 g/mol
Exact Mass2255.12
IUPAC Name6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCOc1cccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)c1.Cc1cccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)c1.Cc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.Clc1cccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)c1.FC(F)(F)c1cccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)c1.Fc1cccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)c1
InChIInChI=1S/C21H21F3N6.C21H24N6O.2C21H24N6.C20H21ClN6.C20H21FN6/c22-21(23,24)15-4-1-3-14(9-15)17-5-2-8-30(17)20-11-18(25-12-26-20)27-19-10-16(28-29-19)13-6-7-13;1-28-16-5-2-4-15(10-16)18-6-3-9-27(18)21-12-19(22-13-23-21)24-20-11-17(25-26-20)14-7-8-14;1-14-4-2-5-16(10-14)18-6-3-9-27(18)21-12-19(22-13-23-21)24-20-11-17(25-26-20)15-7-8-15;1-14-5-2-3-6-16(14)18-7-4-10-27(18)21-12-19(22-13-23-21)24-20-11-17(25-26-20)15-8-9-15;2*21-15-4-1-3-14(9-15)17-5-2-8-27(17)20-11-18(22-12-23-20)24-19-10-16(25-26-19)13-6-7-13/h1,3-4,9-13,17H,2,5-8H2,(H2,25,26,27,28,29);2,4-5,10-14,18H,3,6-9H2,1H3,(H2,22,23,24,25,26);2,4-5,10-13,15,18H,3,6-9H2,1H3,(H2,22,23,24,25,26);2-3,5-6,11-13,15,18H,4,7-10H2,1H3,(H2,22,23,24,25,26);2*1,3-4,9-13,17H,2,5-8H2,(H2,22,23,24,25,26)
InChIKeyKGNSDDYZXXZLFH-UHFFFAOYSA-N
XLogP27.41
TPSA427.61 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds31
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002257.14
LogP ≤ 527.41
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Analyze 6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 157726822
6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-phenylpyrrolidin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 158141761
7-[2-(2-Chloro-5-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(4,5-difluoro-2-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158721095
6-[2-(3-Cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyrimidine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 159808476
7-[2-(5-Chloro-2-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(4,5-difluoro-2-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-(3-methoxyphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 162004373
6-[2-(3-Cyclopropylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine;methane;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 157871509
6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;[2-[1-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]phenyl]methanol;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 159248459
5-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 159561673
5-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 159841941
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine
CID 160387535
5-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,5-dichlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine
CID 160501810
4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(3-methoxy-4-methylphenyl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(3-methoxy-4-methylphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(3-methylphenyl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine;6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-N-[5-(3-methylphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 160560032

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 159128194) is 6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine is COc1cccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)c1.Cc1cccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)c1.Cc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)ncn1.Clc1cccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)c1.FC(F)(F)c1cccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)c1.Fc1cccc(C2CCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)c1.
What is the InChIKey of 6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is KGNSDDYZXXZLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6.C21H24N6O.2C21H24N6.C20H21ClN6.C20H21FN6/c22-21(23,24)15-4-1-3-14(9-15)17-5-2-8-30(17)20-11-18(25-12-26-20)27-19-10-16(28-29-19)13-6-7-13;1-28-16-5-2-4-15(10-16)18-6-3-9-27(18)21-12-19(22-13-23-21)24-20-11-17(25-26-20)14-7-8-14;1-14-4-2-5-16(10-14)18-6-3-9-27(18)21-12-19(22-13-23-21)24-20-11-17(25-26-20)15-7-8-15;1-14-5-2-3-6-16(14)18-7-4-10-27(18)21-12-19(22-13-23-21)24-20-11-17(25-26-20)15-8-9-15;2*21-15-4-1-3-14(9-15)17-5-2-8-27(17)20-11-18(22-12-23-20)24-19-10-16(25-26-19)13-6-7-13/h1,3-4,9-13,17H,2,5-8H2,(H2,25,26,27,28,29);2,4-5,10-14,18H,3,6-9H2,1H3,(H2,22,23,24,25,26);2,4-5,10-13,15,18H,3,6-9H2,1H3,(H2,22,23,24,25,26);2-3,5-6,11-13,15,18H,4,7-10H2,1H3,(H2,22,23,24,25,26);2*1,3-4,9-13,17H,2,5-8H2,(H2,22,23,24,25,26).
What are the key properties of 6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine?
6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 2257.14 g/mol, XLogP of 27.41, 31 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 159128194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).