1-cyclopropyl-4-[(2-cyclopropylphenyl)methyl]-6-[1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-yl]-7-methyl-7H-pyrazolo[4,5-d]pyrimidin-5-one

C31H38N6O2 — CID 166058229

About 1-cyclopropyl-4-[(2-cyclopropylphenyl)methyl]-6-[1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-yl]-7-methyl-7H-pyrazolo[4,5-d]pyrimidin-5-one

1-cyclopropyl-4-[(2-cyclopropylphenyl)methyl]-6-[1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-yl]-7-methyl-7H-pyrazolo[4,5-d]pyrimidin-5-one (PubChem CID 166058229) has the molecular formula C31H38N6O2 and a molecular weight of 526.69 g/mol. Its IUPAC name is 1-cyclopropyl-4-[(2-cyclopropylphenyl)methyl]-6-[1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-yl]-7-methyl-7H-pyrazolo[4,5-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 1-cyclopropyl-4-[(2-cyclopropylphenyl)methyl]-6-[1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-yl]-7-methyl-7H-pyrazolo[4,5-d]pyrimidin-5-one
• PubChem CID: 166058229
• Molecular Formula: C31H38N6O2
• Molecular Weight: 526.69 g/mol
• Exact Mass: 526.31
• IUPAC Name: 1-cyclopropyl-4-[(2-cyclopropylphenyl)methyl]-6-[1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-yl]-7-methyl-7H-pyrazolo[4,5-d]pyrimidin-5-one
• SMILES: COc1nccc(C)c1N1CCC(N2C(=O)N(Cc3ccccc3C3CC3)c3cnn(C4CC4)c3C2C)CC1
• InChI: InChI=1S/C31H38N6O2/c1-20-12-15-32-30(39-3)28(20)34-16-13-24(14-17-34)36-21(2)29-27(18-33-37(29)25-10-11-25)35(31(36)38)19-23-6-4-5-7-26(23)22-8-9-22/h4-7,12,15,18,21-22,24-25H,8-11,13-14,16-17,19H2,1-3H3
• InChIKey: CLGMLWPQUYTMAS-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 66.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.69
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[(2-cyclopropylphenyl)methyl]-6-[1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-yl]-7-methyl-7H-pyrazolo[4,5-d]pyrimidin-5-one?

The IUPAC name of 1-cyclopropyl-4-[(2-cyclopropylphenyl)methyl]-6-[1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-yl]-7-methyl-7H-pyrazolo[4,5-d]pyrimidin-5-one (CID 166058229) is 1-cyclopropyl-4-[(2-cyclopropylphenyl)methyl]-6-[1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-yl]-7-methyl-7H-pyrazolo[4,5-d]pyrimidin-5-one.

What is the SMILES notation for 1-cyclopropyl-4-[(2-cyclopropylphenyl)methyl]-6-[1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-yl]-7-methyl-7H-pyrazolo[4,5-d]pyrimidin-5-one?

The canonical SMILES for 1-cyclopropyl-4-[(2-cyclopropylphenyl)methyl]-6-[1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-yl]-7-methyl-7H-pyrazolo[4,5-d]pyrimidin-5-one is COc1nccc(C)c1N1CCC(N2C(=O)N(Cc3ccccc3C3CC3)c3cnn(C4CC4)c3C2C)CC1.

What is the InChIKey of 1-cyclopropyl-4-[(2-cyclopropylphenyl)methyl]-6-[1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-yl]-7-methyl-7H-pyrazolo[4,5-d]pyrimidin-5-one?

The InChIKey is CLGMLWPQUYTMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6O2/c1-20-12-15-32-30(39-3)28(20)34-16-13-24(14-17-34)36-21(2)29-27(18-33-37(29)25-10-11-25)35(31(36)38)19-23-6-4-5-7-26(23)22-8-9-22/h4-7,12,15,18,21-22,24-25H,8-11,13-14,16-17,19H2,1-3H3.

What are the key properties of 1-cyclopropyl-4-[(2-cyclopropylphenyl)methyl]-6-[1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-yl]-7-methyl-7H-pyrazolo[4,5-d]pyrimidin-5-one?

1-cyclopropyl-4-[(2-cyclopropylphenyl)methyl]-6-[1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-yl]-7-methyl-7H-pyrazolo[4,5-d]pyrimidin-5-one has a molecular weight of 526.69 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-4-[(2-cyclopropylphenyl)methyl]-6-[1-(2-methoxy-4-methyl-3-pyridinyl)piperidin-4-yl]-7-methyl-7H-pyrazolo[4,5-d]pyrimidin-5-one is sourced from PubChem (CID 166058229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).