[4-[(5-methyltetrazol-1-yl)methyl]phenyl]-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C19H19N9O — CID 77091366

About [4-[(5-methyltetrazol-1-yl)methyl]phenyl]-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[4-[(5-methyltetrazol-1-yl)methyl]phenyl]-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 77091366) has the molecular formula C19H19N9O and a molecular weight of 389.42 g/mol. Its IUPAC name is [4-[(5-methyltetrazol-1-yl)methyl]phenyl]-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: [4-[(5-methyltetrazol-1-yl)methyl]phenyl]-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• PubChem CID: 77091366
• Molecular Formula: C19H19N9O
• Molecular Weight: 389.42 g/mol
• Exact Mass: 389.17
• IUPAC Name: [4-[(5-methyltetrazol-1-yl)methyl]phenyl]-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• SMILES: Cc1nnnn1Cc1ccc(C(=O)N2CCc3nc(-c4cn[nH]c4)[nH]c3C2)cc1
• InChI: InChI=1S/C19H19N9O/c1-12-24-25-26-28(12)10-13-2-4-14(5-3-13)19(29)27-7-6-16-17(11-27)23-18(22-16)15-8-20-21-9-15/h2-5,8-9H,6-7,10-11H2,1H3,(H,20,21)(H,22,23)
• InChIKey: UCRRTEUMXVWCLN-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 121.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.42
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyltetrazol-1-yl)methyl]phenyl]-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The IUPAC name of [4-[(5-methyltetrazol-1-yl)methyl]phenyl]-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 77091366) is [4-[(5-methyltetrazol-1-yl)methyl]phenyl]-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

What is the SMILES notation for [4-[(5-methyltetrazol-1-yl)methyl]phenyl]-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The canonical SMILES for [4-[(5-methyltetrazol-1-yl)methyl]phenyl]-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cc1nnnn1Cc1ccc(C(=O)N2CCc3nc(-c4cn[nH]c4)[nH]c3C2)cc1.

What is the InChIKey of [4-[(5-methyltetrazol-1-yl)methyl]phenyl]-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The InChIKey is UCRRTEUMXVWCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N9O/c1-12-24-25-26-28(12)10-13-2-4-14(5-3-13)19(29)27-7-6-16-17(11-27)23-18(22-16)15-8-20-21-9-15/h2-5,8-9H,6-7,10-11H2,1H3,(H,20,21)(H,22,23).

What are the key properties of [4-[(5-methyltetrazol-1-yl)methyl]phenyl]-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

[4-[(5-methyltetrazol-1-yl)methyl]phenyl]-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 389.42 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(5-methyltetrazol-1-yl)methyl]phenyl]-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 77091366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).