4-amino-6-[2-[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile;2,4-diamino-6-[2-(7-fluoro-2-phenylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile;7-fluoro-2-(2-fluorophenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;7-fluoro-2-(3-methoxyphenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;[2-[7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinolin-2-yl]phenyl]methanol

C123H101F6N31O3 — CID 157082599

About 4-amino-6-[2-[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile;2,4-diamino-6-[2-(7-fluoro-2-phenylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile;7-fluoro-2-(2-fluorophenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;7-fluoro-2-(3-methoxyphenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;[2-[7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinolin-2-yl]phenyl]methanol

4-amino-6-[2-[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile;2,4-diamino-6-[2-(7-fluoro-2-phenylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile;7-fluoro-2-(2-fluorophenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;7-fluoro-2-(3-methoxyphenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;[2-[7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinolin-2-yl]phenyl]methanol (PubChem CID 157082599) has the molecular formula C123H101F6N31O3 and a molecular weight of 2175.36 g/mol. Its IUPAC name is 4-amino-6-[2-[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile;2,4-diamino-6-[2-(7-fluoro-2-phenylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile;7-fluoro-2-(2-fluorophenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;7-fluoro-2-(3-methoxyphenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;[2-[7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinolin-2-yl]phenyl]methanol.

Molecular Properties

• Compound Name: 4-amino-6-[2-[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile;2,4-diamino-6-[2-(7-fluoro-2-phenylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile;7-fluoro-2-(2-fluorophenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;7-fluoro-2-(3-methoxyphenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;[2-[7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinolin-2-yl]phenyl]methanol
• PubChem CID: 157082599
• Molecular Formula: C123H101F6N31O3
• Molecular Weight: 2175.36 g/mol
• Exact Mass: 2173.86
• IUPAC Name: 4-amino-6-[2-[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile;2,4-diamino-6-[2-(7-fluoro-2-phenylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile;7-fluoro-2-(2-fluorophenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;7-fluoro-2-(3-methoxyphenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;[2-[7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinolin-2-yl]phenyl]methanol
• SMILES: COc1cccc(-c2nc3cc(F)ccc3cc2C2CCCN2c2ncnc(N)c2C#N)c1.COc1cccc(-c2nc3cc(F)ccc3cc2C2CCCN2c2ncnc3nc[nH]c23)c1.Fc1ccc2cc(C3CCCN3c3ncnc4nc[nH]c34)c(-c3ccccc3F)nc2c1.N#Cc1c(N)nc(N)nc1N1CCCC1c1cc2ccc(F)cc2nc1-c1ccccc1.OCc1ccccc1-c1nc2cc(F)ccc2cc1C1CCCN1c1ncnc2nc[nH]c12
• InChI: InChI=1S/3C25H21FN6O.C24H18F2N6.C24H20FN7/c1-33-18-5-2-4-16(10-18)22-19(11-15-7-8-17(26)12-20(15)31-22)21-6-3-9-32(21)25-23-24(28-13-27-23)29-14-30-25;26-17-8-7-15-10-19(22(31-20(15)11-17)18-5-2-1-4-16(18)12-33)21-6-3-9-32(21)25-23-24(28-13-27-23)29-14-30-25;1-33-18-5-2-4-16(10-18)23-19(11-15-7-8-17(26)12-21(15)31-23)22-6-3-9-32(22)25-20(13-27)24(28)29-14-30-25;25-15-8-7-14-10-17(21(31-19(14)11-15)16-4-1-2-5-18(16)26)20-6-3-9-32(20)24-22-23(28-12-27-22)29-13-30-24;25-16-9-8-15-11-17(21(29-19(15)12-16)14-5-2-1-3-6-14)20-7-4-10-32(20)23-18(13-26)22(27)30-24(28)31-23/h2,4-5,7-8,10-14,21H,3,6,9H2,1H3,(H,27,28,29,30);1-2,4-5,7-8,10-11,13-14,21,33H,3,6,9,12H2,(H,27,28,29,30);2,4-5,7-8,10-12,14,22H,3,6,9H2,1H3,(H2,28,29,30);1-2,4-5,7-8,10-13,20H,3,6,9H2,(H,27,28,29,30);1-3,5-6,8-9,11-12,20H,4,7,10H2,(H4,27,28,30,31)
• InChIKey: ADSMCFAUIYYWQO-UHFFFAOYSA-N
• XLogP: 23.63
• TPSA: 459.92 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 18
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2175.36
LogP ≤ 5	23.63
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[2-[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile;2,4-diamino-6-[2-(7-fluoro-2-phenylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile;7-fluoro-2-(2-fluorophenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;7-fluoro-2-(3-methoxyphenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;[2-[7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinolin-2-yl]phenyl]methanol?

The IUPAC name of 4-amino-6-[2-[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile;2,4-diamino-6-[2-(7-fluoro-2-phenylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile;7-fluoro-2-(2-fluorophenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;7-fluoro-2-(3-methoxyphenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;[2-[7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinolin-2-yl]phenyl]methanol (CID 157082599) is 4-amino-6-[2-[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile;2,4-diamino-6-[2-(7-fluoro-2-phenylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile;7-fluoro-2-(2-fluorophenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;7-fluoro-2-(3-methoxyphenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;[2-[7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinolin-2-yl]phenyl]methanol.

What is the SMILES notation for 4-amino-6-[2-[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile;2,4-diamino-6-[2-(7-fluoro-2-phenylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile;7-fluoro-2-(2-fluorophenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;7-fluoro-2-(3-methoxyphenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;[2-[7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinolin-2-yl]phenyl]methanol?

The canonical SMILES for 4-amino-6-[2-[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile;2,4-diamino-6-[2-(7-fluoro-2-phenylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile;7-fluoro-2-(2-fluorophenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;7-fluoro-2-(3-methoxyphenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;[2-[7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinolin-2-yl]phenyl]methanol is COc1cccc(-c2nc3cc(F)ccc3cc2C2CCCN2c2ncnc(N)c2C#N)c1.COc1cccc(-c2nc3cc(F)ccc3cc2C2CCCN2c2ncnc3nc[nH]c23)c1.Fc1ccc2cc(C3CCCN3c3ncnc4nc[nH]c34)c(-c3ccccc3F)nc2c1.N#Cc1c(N)nc(N)nc1N1CCCC1c1cc2ccc(F)cc2nc1-c1ccccc1.OCc1ccccc1-c1nc2cc(F)ccc2cc1C1CCCN1c1ncnc2nc[nH]c12.

What is the InChIKey of 4-amino-6-[2-[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile;2,4-diamino-6-[2-(7-fluoro-2-phenylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile;7-fluoro-2-(2-fluorophenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;7-fluoro-2-(3-methoxyphenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;[2-[7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinolin-2-yl]phenyl]methanol?

The InChIKey is ADSMCFAUIYYWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C25H21FN6O.C24H18F2N6.C24H20FN7/c1-33-18-5-2-4-16(10-18)22-19(11-15-7-8-17(26)12-20(15)31-22)21-6-3-9-32(21)25-23-24(28-13-27-23)29-14-30-25;26-17-8-7-15-10-19(22(31-20(15)11-17)18-5-2-1-4-16(18)12-33)21-6-3-9-32(21)25-23-24(28-13-27-23)29-14-30-25;1-33-18-5-2-4-16(10-18)23-19(11-15-7-8-17(26)12-21(15)31-23)22-6-3-9-32(22)25-20(13-27)24(28)29-14-30-25;25-15-8-7-14-10-17(21(31-19(14)11-15)16-4-1-2-5-18(16)26)20-6-3-9-32(20)24-22-23(28-12-27-22)29-13-30-24;25-16-9-8-15-11-17(21(29-19(15)12-16)14-5-2-1-3-6-14)20-7-4-10-32(20)23-18(13-26)22(27)30-24(28)31-23/h2,4-5,7-8,10-14,21H,3,6,9H2,1H3,(H,27,28,29,30);1-2,4-5,7-8,10-11,13-14,21,33H,3,6,9,12H2,(H,27,28,29,30);2,4-5,7-8,10-12,14,22H,3,6,9H2,1H3,(H2,28,29,30);1-2,4-5,7-8,10-13,20H,3,6,9H2,(H,27,28,29,30);1-3,5-6,8-9,11-12,20H,4,7,10H2,(H4,27,28,30,31).

What are the key properties of 4-amino-6-[2-[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile;2,4-diamino-6-[2-(7-fluoro-2-phenylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile;7-fluoro-2-(2-fluorophenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;7-fluoro-2-(3-methoxyphenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;[2-[7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinolin-2-yl]phenyl]methanol?

4-amino-6-[2-[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile;2,4-diamino-6-[2-(7-fluoro-2-phenylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile;7-fluoro-2-(2-fluorophenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;7-fluoro-2-(3-methoxyphenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;[2-[7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinolin-2-yl]phenyl]methanol has a molecular weight of 2175.36 g/mol, XLogP of 23.63, 18 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-6-[2-[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile;2,4-diamino-6-[2-(7-fluoro-2-phenylquinolin-3-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile;7-fluoro-2-(2-fluorophenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;7-fluoro-2-(3-methoxyphenyl)-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinoline;[2-[7-fluoro-3-[1-(7H-purin-6-yl)pyrrolidin-2-yl]quinolin-2-yl]phenyl]methanol is sourced from PubChem (CID 157082599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).