2-cyclopropyl-6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C21H27N5O — CID 135946072

About 2-cyclopropyl-6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-cyclopropyl-6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135946072) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-cyclopropyl-6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135946072
• Molecular Formula: C21H27N5O
• Molecular Weight: 365.48 g/mol
• Exact Mass: 365.22
• IUPAC Name: 2-cyclopropyl-6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: O=c1[nH]c(C2CC2)nc2c1CN(Cc1ccc(N3CCCCC3)nc1)CC2
• InChI: InChI=1S/C21H27N5O/c27-21-17-14-25(11-8-18(17)23-20(24-21)16-5-6-16)13-15-4-7-19(22-12-15)26-9-2-1-3-10-26/h4,7,12,16H,1-3,5-6,8-11,13-14H2,(H,23,24,27)
• InChIKey: PUODUPUAYRAPQZ-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.48
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 2-cyclopropyl-6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135946072) is 2-cyclopropyl-6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 2-cyclopropyl-6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 2-cyclopropyl-6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(C2CC2)nc2c1CN(Cc1ccc(N3CCCCC3)nc1)CC2.

What is the InChIKey of 2-cyclopropyl-6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is PUODUPUAYRAPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c27-21-17-14-25(11-8-18(17)23-20(24-21)16-5-6-16)13-15-4-7-19(22-12-15)26-9-2-1-3-10-26/h4,7,12,16H,1-3,5-6,8-11,13-14H2,(H,23,24,27).

What are the key properties of 2-cyclopropyl-6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

2-cyclopropyl-6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 365.48 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135946072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).