7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-[(1S,2S)-2-hydroxycyclopentyl]acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C141H149F2N19O12 — CID 158253663

About 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-[(1S,2S)-2-hydroxycyclopentyl]acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-[(1S,2S)-2-hydroxycyclopentyl]acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 158253663) has the molecular formula C141H149F2N19O12 and a molecular weight of 2339.86 g/mol. Its IUPAC name is 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-[(1S,2S)-2-hydroxycyclopentyl]acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-[(1S,2S)-2-hydroxycyclopentyl]acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 158253663
• Molecular Formula: C141H149F2N19O12
• Molecular Weight: 2339.86 g/mol
• Exact Mass: 2338.16
• IUPAC Name: 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-[(1S,2S)-2-hydroxycyclopentyl]acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)C[C@@H]3CCC[C@@H]3O)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCC(F)(F)CC3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCCC3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCCC3C)cc1)C(=O)C2.COCC1(N(C)C(=O)c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)CC1
• InChI: InChI=1S/C29H32N4O3.C29H31N3O3.C28H28F2N4O2.C28H30N4O2.C27H28N4O2/c1-19(2)23-7-5-6-8-24(23)26-30-16-22-15-25(34)33(27(22)31-26)17-20-9-11-21(12-10-20)28(35)32(3)29(13-14-29)18-36-4;1-18(2)23-7-3-4-8-24(23)28-30-16-22-15-27(35)32(29(22)31-28)17-19-10-12-20(13-11-19)26(34)14-21-6-5-9-25(21)33;1-18(2)22-5-3-4-6-23(22)25-31-16-21-15-24(35)34(26(21)32-25)17-19-7-9-20(10-8-19)27(36)33-13-11-28(29,30)12-14-33;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;1-18(2)22-7-3-4-8-23(22)25-28-16-21-15-24(32)31(26(21)29-25)17-19-9-11-20(12-10-19)27(33)30-13-5-6-14-30/h5-12,16,19H,13-15,17-18H2,1-4H3;3-4,7-8,10-13,16,18,21,25,33H,5-6,9,14-15,17H2,1-2H3;3-10,16,18H,11-15,17H2,1-2H3;4-5,8-13,16,18-19H,6-7,14-15,17H2,1-3H3;3-4,7-12,16,18H,5-6,13-15,17H2,1-2H3/t;21-,25-;;;/m.0.../s1
• InChIKey: GHACFGCBRUSTIE-VJABRSLXSA-N
• XLogP: 24.50
• TPSA: 358.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 30
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2339.86
LogP ≤ 5	24.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-[(1S,2S)-2-hydroxycyclopentyl]acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-[(1S,2S)-2-hydroxycyclopentyl]acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 158253663) is 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-[(1S,2S)-2-hydroxycyclopentyl]acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-[(1S,2S)-2-hydroxycyclopentyl]acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-[(1S,2S)-2-hydroxycyclopentyl]acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)C[C@@H]3CCC[C@@H]3O)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCC(F)(F)CC3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCCC3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCCC3C)cc1)C(=O)C2.COCC1(N(C)C(=O)c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)CC1.

What is the InChIKey of 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-[(1S,2S)-2-hydroxycyclopentyl]acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is GHACFGCBRUSTIE-VJABRSLXSA-N. The full InChI is InChI=1S/C29H32N4O3.C29H31N3O3.C28H28F2N4O2.C28H30N4O2.C27H28N4O2/c1-19(2)23-7-5-6-8-24(23)26-30-16-22-15-25(34)33(27(22)31-26)17-20-9-11-21(12-10-20)28(35)32(3)29(13-14-29)18-36-4;1-18(2)23-7-3-4-8-24(23)28-30-16-22-15-27(35)32(29(22)31-28)17-19-10-12-20(13-11-19)26(34)14-21-6-5-9-25(21)33;1-18(2)22-5-3-4-6-23(22)25-31-16-21-15-24(35)34(26(21)32-25)17-19-7-9-20(10-8-19)27(36)33-13-11-28(29,30)12-14-33;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;1-18(2)22-7-3-4-8-23(22)25-28-16-21-15-24(32)31(26(21)29-25)17-19-9-11-20(12-10-19)27(33)30-13-5-6-14-30/h5-12,16,19H,13-15,17-18H2,1-4H3;3-4,7-8,10-13,16,18,21,25,33H,5-6,9,14-15,17H2,1-2H3;3-10,16,18H,11-15,17H2,1-2H3;4-5,8-13,16,18-19H,6-7,14-15,17H2,1-3H3;3-4,7-12,16,18H,5-6,13-15,17H2,1-2H3/t;21-,25-;;;/m.0.../s1.

What are the key properties of 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-[(1S,2S)-2-hydroxycyclopentyl]acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?

7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-[(1S,2S)-2-hydroxycyclopentyl]acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2339.86 g/mol, XLogP of 24.50, 30 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-[(1S,2S)-2-hydroxycyclopentyl]acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;7-[[4-(2-methylpyrrolidine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 158253663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).