7-cyclopropyl-5-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(piperidin-1-ylmethyl)-3H-imidazo[4,5-c]pyridin-4-one

C30H35N7O — CID 170737260

About 7-cyclopropyl-5-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(piperidin-1-ylmethyl)-3H-imidazo[4,5-c]pyridin-4-one

7-cyclopropyl-5-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(piperidin-1-ylmethyl)-3H-imidazo[4,5-c]pyridin-4-one (PubChem CID 170737260) has the molecular formula C30H35N7O and a molecular weight of 509.66 g/mol. Its IUPAC name is 7-cyclopropyl-5-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(piperidin-1-ylmethyl)-3H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

• Compound Name: 7-cyclopropyl-5-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(piperidin-1-ylmethyl)-3H-imidazo[4,5-c]pyridin-4-one
• PubChem CID: 170737260
• Molecular Formula: C30H35N7O
• Molecular Weight: 509.66 g/mol
• Exact Mass: 509.29
• IUPAC Name: 7-cyclopropyl-5-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(piperidin-1-ylmethyl)-3H-imidazo[4,5-c]pyridin-4-one
• SMILES: Cn1cnnc1C1(c2cccc(-n3cc(C4CC4)c4nc(CN5CCCCC5)[nH]c4c3=O)c2)CC2(CC2)C1
• InChI: InChI=1S/C30H35N7O/c1-35-19-31-34-28(35)30(17-29(18-30)10-11-29)21-6-5-7-22(14-21)37-15-23(20-8-9-20)25-26(27(37)38)33-24(32-25)16-36-12-3-2-4-13-36/h5-7,14-15,19-20H,2-4,8-13,16-18H2,1H3,(H,32,33)
• InChIKey: VZBHKVRYGHTGJB-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 84.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.66
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-5-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(piperidin-1-ylmethyl)-3H-imidazo[4,5-c]pyridin-4-one?

The IUPAC name of 7-cyclopropyl-5-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(piperidin-1-ylmethyl)-3H-imidazo[4,5-c]pyridin-4-one (CID 170737260) is 7-cyclopropyl-5-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(piperidin-1-ylmethyl)-3H-imidazo[4,5-c]pyridin-4-one.

What is the SMILES notation for 7-cyclopropyl-5-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(piperidin-1-ylmethyl)-3H-imidazo[4,5-c]pyridin-4-one?

The canonical SMILES for 7-cyclopropyl-5-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(piperidin-1-ylmethyl)-3H-imidazo[4,5-c]pyridin-4-one is Cn1cnnc1C1(c2cccc(-n3cc(C4CC4)c4nc(CN5CCCCC5)[nH]c4c3=O)c2)CC2(CC2)C1.

What is the InChIKey of 7-cyclopropyl-5-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(piperidin-1-ylmethyl)-3H-imidazo[4,5-c]pyridin-4-one?

The InChIKey is VZBHKVRYGHTGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O/c1-35-19-31-34-28(35)30(17-29(18-30)10-11-29)21-6-5-7-22(14-21)37-15-23(20-8-9-20)25-26(27(37)38)33-24(32-25)16-36-12-3-2-4-13-36/h5-7,14-15,19-20H,2-4,8-13,16-18H2,1H3,(H,32,33).

What are the key properties of 7-cyclopropyl-5-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(piperidin-1-ylmethyl)-3H-imidazo[4,5-c]pyridin-4-one?

7-cyclopropyl-5-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(piperidin-1-ylmethyl)-3H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 509.66 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopropyl-5-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-2-(piperidin-1-ylmethyl)-3H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 170737260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).