methane;7-[[4-(5-methoxypyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;5-methyl-2-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;7-[[4-(2-methyl-5-oxopyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C110H114N22O6 — CID 157406945

About methane;7-[[4-(5-methoxypyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;5-methyl-2-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;7-[[4-(2-methyl-5-oxopyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

methane;7-[[4-(5-methoxypyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;5-methyl-2-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;7-[[4-(2-methyl-5-oxopyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 157406945) has the molecular formula C110H114N22O6 and a molecular weight of 1840.27 g/mol. Its IUPAC name is methane;7-[[4-(5-methoxypyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;5-methyl-2-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;7-[[4-(2-methyl-5-oxopyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: methane;7-[[4-(5-methoxypyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;5-methyl-2-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;7-[[4-(2-methyl-5-oxopyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 157406945
• Molecular Formula: C110H114N22O6
• Molecular Weight: 1840.27 g/mol
• Exact Mass: 1838.93
• IUPAC Name: methane;7-[[4-(5-methoxypyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;5-methyl-2-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;7-[[4-(2-methyl-5-oxopyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: C.C.C.C.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3c(=O)ccn3C)cc1)C(=O)C2.COc1ccnn1-c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.Cc1cc(C#N)n(-c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)n1.Cc1cc(C#N)nn1-c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1
• InChI: InChI=1S/2C27H24N6O.2C26H25N5O2.4CH4/c1-17(2)23-6-4-5-7-24(23)26-29-15-20-13-25(34)32(27(20)30-26)16-19-8-10-22(11-9-19)33-18(3)12-21(14-28)31-33;1-17(2)23-6-4-5-7-24(23)26-29-15-20-13-25(34)32(27(20)30-26)16-19-8-10-21(11-9-19)33-22(14-28)12-18(3)31-33;1-17(2)21-6-4-5-7-22(21)25-27-15-19-14-23(32)30(26(19)29-25)16-18-8-10-20(11-9-18)31-24(33-3)12-13-28-31;1-17(2)21-6-4-5-7-22(21)25-27-15-19-14-24(33)30(26(19)28-25)16-18-8-10-20(11-9-18)31-23(32)12-13-29(31)3;;;;/h2*4-12,15,17H,13,16H2,1-3H3;2*4-13,15,17H,14,16H2,1-3H3;4*1H4
• InChIKey: BNVDHNKHYDLHDB-UHFFFAOYSA-N
• XLogP: 20.38
• TPSA: 321.56 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1840.27
LogP ≤ 5	20.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of methane;7-[[4-(5-methoxypyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;5-methyl-2-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;7-[[4-(2-methyl-5-oxopyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of methane;7-[[4-(5-methoxypyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;5-methyl-2-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;7-[[4-(2-methyl-5-oxopyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 157406945) is methane;7-[[4-(5-methoxypyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;5-methyl-2-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;7-[[4-(2-methyl-5-oxopyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for methane;7-[[4-(5-methoxypyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;5-methyl-2-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;7-[[4-(2-methyl-5-oxopyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for methane;7-[[4-(5-methoxypyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;5-methyl-2-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;7-[[4-(2-methyl-5-oxopyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is C.C.C.C.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-n3c(=O)ccn3C)cc1)C(=O)C2.COc1ccnn1-c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.Cc1cc(C#N)n(-c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)n1.Cc1cc(C#N)nn1-c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.

What is the InChIKey of methane;7-[[4-(5-methoxypyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;5-methyl-2-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;7-[[4-(2-methyl-5-oxopyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is BNVDHNKHYDLHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H24N6O.2C26H25N5O2.4CH4/c1-17(2)23-6-4-5-7-24(23)26-29-15-20-13-25(34)32(27(20)30-26)16-19-8-10-22(11-9-19)33-18(3)12-21(14-28)31-33;1-17(2)23-6-4-5-7-24(23)26-29-15-20-13-25(34)32(27(20)30-26)16-19-8-10-21(11-9-19)33-22(14-28)12-18(3)31-33;1-17(2)21-6-4-5-7-22(21)25-27-15-19-14-23(32)30(26(19)29-25)16-18-8-10-20(11-9-18)31-24(33-3)12-13-28-31;1-17(2)21-6-4-5-7-22(21)25-27-15-19-14-24(33)30(26(19)28-25)16-18-8-10-20(11-9-18)31-23(32)12-13-29(31)3;;;;/h2*4-12,15,17H,13,16H2,1-3H3;2*4-13,15,17H,14,16H2,1-3H3;4*1H4.

What are the key properties of methane;7-[[4-(5-methoxypyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;5-methyl-2-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;7-[[4-(2-methyl-5-oxopyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

methane;7-[[4-(5-methoxypyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;5-methyl-2-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;7-[[4-(2-methyl-5-oxopyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 1840.27 g/mol, XLogP of 20.38, 21 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for methane;7-[[4-(5-methoxypyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methyl-1-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;5-methyl-2-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]pyrazole-3-carbonitrile;7-[[4-(2-methyl-5-oxopyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 157406945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).