7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(6-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C142H148F2N20O13 — CID 161112600

About 7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(6-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(6-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 161112600) has the molecular formula C142H148F2N20O13 and a molecular weight of 2380.87 g/mol. Its IUPAC name is 7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(6-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(6-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 161112600
• Molecular Formula: C142H148F2N20O13
• Molecular Weight: 2380.87 g/mol
• Exact Mass: 2379.15
• IUPAC Name: 7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(6-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CC4(CCCO4)C3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CC4(CCOC4)C3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCC(F)(F)C3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCC[C@@H]3C)cc1)C(=O)C2.COC[C@@H]1CCCN1C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1
• InChI: InChI=1S/2C29H30N4O3.C29H32N4O3.C28H30N4O2.C27H26F2N4O2/c1-19(2)23-6-3-4-7-24(23)26-30-15-22-14-25(34)33(27(22)31-26)16-20-8-10-21(11-9-20)28(35)32-17-29(18-32)12-5-13-36-29;1-19(2)23-5-3-4-6-24(23)26-30-14-22-13-25(34)33(27(22)31-26)15-20-7-9-21(10-8-20)28(35)32-16-29(17-32)11-12-36-18-29;1-19(2)24-8-4-5-9-25(24)27-30-16-22-15-26(34)33(28(22)31-27)17-20-10-12-21(13-11-20)29(35)32-14-6-7-23(32)18-36-3;1-18(2)23-8-4-5-9-24(23)26-29-16-22-15-25(33)32(27(22)30-26)17-20-10-12-21(13-11-20)28(34)31-14-6-7-19(31)3;1-17(2)21-5-3-4-6-22(21)24-30-14-20-13-23(34)33(25(20)31-24)15-18-7-9-19(10-8-18)26(35)32-12-11-27(28,29)16-32/h3-4,6-11,15,19H,5,12-14,16-18H2,1-2H3;3-10,14,19H,11-13,15-18H2,1-2H3;4-5,8-13,16,19,23H,6-7,14-15,17-18H2,1-3H3;4-5,8-13,16,18-19H,6-7,14-15,17H2,1-3H3;3-10,14,17H,11-13,15-16H2,1-2H3/t;;23-;19-;/m..00./s1
• InChIKey: UJWVZCUJABPQKR-JSXXJORVSA-N
• XLogP: 23.01
• TPSA: 359.69 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2380.87
LogP ≤ 5	23.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(6-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(6-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 161112600) is 7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(6-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(6-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(6-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CC4(CCCO4)C3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CC4(CCOC4)C3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCC(F)(F)C3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCC[C@@H]3C)cc1)C(=O)C2.COC[C@@H]1CCCN1C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.

What is the InChIKey of 7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(6-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is UJWVZCUJABPQKR-JSXXJORVSA-N. The full InChI is InChI=1S/2C29H30N4O3.C29H32N4O3.C28H30N4O2.C27H26F2N4O2/c1-19(2)23-6-3-4-7-24(23)26-30-15-22-14-25(34)33(27(22)31-26)16-20-8-10-21(11-9-20)28(35)32-17-29(18-32)12-5-13-36-29;1-19(2)23-5-3-4-6-24(23)26-30-14-22-13-25(34)33(27(22)31-26)15-20-7-9-21(10-8-20)28(35)32-16-29(17-32)11-12-36-18-29;1-19(2)24-8-4-5-9-25(24)27-30-16-22-15-26(34)33(28(22)31-27)17-20-10-12-21(13-11-20)29(35)32-14-6-7-23(32)18-36-3;1-18(2)23-8-4-5-9-24(23)26-29-16-22-15-25(33)32(27(22)30-26)17-20-10-12-21(13-11-20)28(34)31-14-6-7-19(31)3;1-17(2)21-5-3-4-6-22(21)24-30-14-20-13-23(34)33(25(20)31-24)15-18-7-9-19(10-8-18)26(35)32-12-11-27(28,29)16-32/h3-4,6-11,15,19H,5,12-14,16-18H2,1-2H3;3-10,14,19H,11-13,15-18H2,1-2H3;4-5,8-13,16,19,23H,6-7,14-15,17-18H2,1-3H3;4-5,8-13,16,18-19H,6-7,14-15,17H2,1-3H3;3-10,14,17H,11-13,15-16H2,1-2H3/t;;23-;19-;/m..00./s1.

What are the key properties of 7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(6-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(6-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2380.87 g/mol, XLogP of 23.01, 27 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-(3,3-difluoropyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-methylpyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(6-oxa-2-azaspiro[3.4]octane-2-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 161112600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).