2-(2-cyclopropylphenyl)-7-[[4-[5-(hydroxymethyl)-3-methylpyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(1-hydroxyethyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;1-methyl-2-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-carbonitrile;methyl 4-[1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazol-3-yl]piperidine-1-carboxylate;7-[[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C142H138F3N29O9 — CID 160500808

About 2-(2-cyclopropylphenyl)-7-[[4-[5-(hydroxymethyl)-3-methylpyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(1-hydroxyethyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;1-methyl-2-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-carbonitrile;methyl 4-[1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazol-3-yl]piperidine-1-carboxylate;7-[[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

2-(2-cyclopropylphenyl)-7-[[4-[5-(hydroxymethyl)-3-methylpyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(1-hydroxyethyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;1-methyl-2-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-carbonitrile;methyl 4-[1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazol-3-yl]piperidine-1-carboxylate;7-[[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 160500808) has the molecular formula C142H138F3N29O9 and a molecular weight of 2451.85 g/mol. Its IUPAC name is 2-(2-cyclopropylphenyl)-7-[[4-[5-(hydroxymethyl)-3-methylpyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(1-hydroxyethyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;1-methyl-2-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-carbonitrile;methyl 4-[1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazol-3-yl]piperidine-1-carboxylate;7-[[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-(2-cyclopropylphenyl)-7-[[4-[5-(hydroxymethyl)-3-methylpyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(1-hydroxyethyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;1-methyl-2-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-carbonitrile;methyl 4-[1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazol-3-yl]piperidine-1-carboxylate;7-[[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 160500808
• Molecular Formula: C142H138F3N29O9
• Molecular Weight: 2451.85 g/mol
• Exact Mass: 2450.12
• IUPAC Name: 2-(2-cyclopropylphenyl)-7-[[4-[5-(hydroxymethyl)-3-methylpyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(1-hydroxyethyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;1-methyl-2-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-carbonitrile;methyl 4-[1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazol-3-yl]piperidine-1-carboxylate;7-[[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3cnn(C4CCNCC4)c3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C#N)cn3C)cc1)c(=O)n2C.CC(O)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)C(=O)C2.COC(=O)N1CCC(c2ccn(-c3ccc(CN4C(=O)Cc5cnc(-c6ccccc6C(C)C)nc54)cc3)n2)CC1.Cc1cc(CO)n(-c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C5CC5)nc43)cc2)n1
• InChI: InChI=1S/C32H34N6O3.C30H32N6O.C27H25N7O.C27H25N5O2.C26H22F3N5O2/c1-21(2)26-6-4-5-7-27(26)30-33-19-24-18-29(39)37(31(24)34-30)20-22-8-10-25(11-9-22)38-17-14-28(35-38)23-12-15-36(16-13-23)32(40)41-3;1-20(2)26-5-3-4-6-27(26)29-32-16-23-15-28(37)35(30(23)34-29)18-21-7-9-22(10-8-21)24-17-33-36(19-24)25-11-13-31-14-12-25;1-17(2)21-7-5-6-8-22(21)24-29-14-23-26(31-24)34(27(35)33(23)4)15-18-9-11-19(12-10-18)25-30-20(13-28)16-32(25)3;1-17-12-22(16-33)32(30-17)21-10-6-18(7-11-21)15-31-25(34)13-20-14-28-26(29-27(20)31)24-5-3-2-4-23(24)19-8-9-19;1-15(35)19-5-3-4-6-20(19)23-30-12-18-11-22(36)34(25(18)32-23)13-16-7-9-17(10-8-16)24-31-21(14-33(24)2)26(27,28)29/h4-11,14,17,19,21,23H,12-13,15-16,18,20H2,1-3H3;3-10,16-17,19-20,25,31H,11-15,18H2,1-2H3;5-12,14,16-17H,15H2,1-4H3;2-7,10-12,14,19,33H,8-9,13,15-16H2,1H3;3-10,12,14-15,35H,11,13H2,1-2H3
• InChIKey: QRTHFTQLPHUDCY-UHFFFAOYSA-N
• XLogP: 23.68
• TPSA: 431.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 28
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2451.85
LogP ≤ 5	23.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylphenyl)-7-[[4-[5-(hydroxymethyl)-3-methylpyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(1-hydroxyethyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;1-methyl-2-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-carbonitrile;methyl 4-[1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazol-3-yl]piperidine-1-carboxylate;7-[[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 2-(2-cyclopropylphenyl)-7-[[4-[5-(hydroxymethyl)-3-methylpyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(1-hydroxyethyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;1-methyl-2-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-carbonitrile;methyl 4-[1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazol-3-yl]piperidine-1-carboxylate;7-[[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 160500808) is 2-(2-cyclopropylphenyl)-7-[[4-[5-(hydroxymethyl)-3-methylpyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(1-hydroxyethyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;1-methyl-2-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-carbonitrile;methyl 4-[1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazol-3-yl]piperidine-1-carboxylate;7-[[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 2-(2-cyclopropylphenyl)-7-[[4-[5-(hydroxymethyl)-3-methylpyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(1-hydroxyethyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;1-methyl-2-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-carbonitrile;methyl 4-[1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazol-3-yl]piperidine-1-carboxylate;7-[[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 2-(2-cyclopropylphenyl)-7-[[4-[5-(hydroxymethyl)-3-methylpyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(1-hydroxyethyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;1-methyl-2-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-carbonitrile;methyl 4-[1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazol-3-yl]piperidine-1-carboxylate;7-[[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3cnn(C4CCNCC4)c3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3nc(C#N)cn3C)cc1)c(=O)n2C.CC(O)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)C(=O)C2.COC(=O)N1CCC(c2ccn(-c3ccc(CN4C(=O)Cc5cnc(-c6ccccc6C(C)C)nc54)cc3)n2)CC1.Cc1cc(CO)n(-c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C5CC5)nc43)cc2)n1.

What is the InChIKey of 2-(2-cyclopropylphenyl)-7-[[4-[5-(hydroxymethyl)-3-methylpyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(1-hydroxyethyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;1-methyl-2-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-carbonitrile;methyl 4-[1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazol-3-yl]piperidine-1-carboxylate;7-[[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is QRTHFTQLPHUDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O3.C30H32N6O.C27H25N7O.C27H25N5O2.C26H22F3N5O2/c1-21(2)26-6-4-5-7-27(26)30-33-19-24-18-29(39)37(31(24)34-30)20-22-8-10-25(11-9-22)38-17-14-28(35-38)23-12-15-36(16-13-23)32(40)41-3;1-20(2)26-5-3-4-6-27(26)29-32-16-23-15-28(37)35(30(23)34-29)18-21-7-9-22(10-8-21)24-17-33-36(19-24)25-11-13-31-14-12-25;1-17(2)21-7-5-6-8-22(21)24-29-14-23-26(31-24)34(27(35)33(23)4)15-18-9-11-19(12-10-18)25-30-20(13-28)16-32(25)3;1-17-12-22(16-33)32(30-17)21-10-6-18(7-11-21)15-31-25(34)13-20-14-28-26(29-27(20)31)24-5-3-2-4-23(24)19-8-9-19;1-15(35)19-5-3-4-6-20(19)23-30-12-18-11-22(36)34(25(18)32-23)13-16-7-9-17(10-8-16)24-31-21(14-33(24)2)26(27,28)29/h4-11,14,17,19,21,23H,12-13,15-16,18,20H2,1-3H3;3-10,16-17,19-20,25,31H,11-15,18H2,1-2H3;5-12,14,16-17H,15H2,1-4H3;2-7,10-12,14,19,33H,8-9,13,15-16H2,1H3;3-10,12,14-15,35H,11,13H2,1-2H3.

What are the key properties of 2-(2-cyclopropylphenyl)-7-[[4-[5-(hydroxymethyl)-3-methylpyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(1-hydroxyethyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;1-methyl-2-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-carbonitrile;methyl 4-[1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazol-3-yl]piperidine-1-carboxylate;7-[[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

2-(2-cyclopropylphenyl)-7-[[4-[5-(hydroxymethyl)-3-methylpyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(1-hydroxyethyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;1-methyl-2-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-carbonitrile;methyl 4-[1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazol-3-yl]piperidine-1-carboxylate;7-[[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2451.85 g/mol, XLogP of 23.68, 28 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-cyclopropylphenyl)-7-[[4-[5-(hydroxymethyl)-3-methylpyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(1-hydroxyethyl)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;1-methyl-2-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]imidazole-4-carbonitrile;methyl 4-[1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazol-3-yl]piperidine-1-carboxylate;7-[[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 160500808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).