4-[3,5-dimethyl-1-(2H-tetrazol-5-yl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C19H18N10 — CID 56884296

About 4-[3,5-dimethyl-1-(2H-tetrazol-5-yl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

4-[3,5-dimethyl-1-(2H-tetrazol-5-yl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56884296) has the molecular formula C19H18N10 and a molecular weight of 386.42 g/mol. Its IUPAC name is 4-[3,5-dimethyl-1-(2H-tetrazol-5-yl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

• Compound Name: 4-[3,5-dimethyl-1-(2H-tetrazol-5-yl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
• PubChem CID: 56884296
• Molecular Formula: C19H18N10
• Molecular Weight: 386.42 g/mol
• Exact Mass: 386.17
• IUPAC Name: 4-[3,5-dimethyl-1-(2H-tetrazol-5-yl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
• SMILES: Cc1nn(-c2nn[nH]n2)c(C)c1-c1cc(NCc2ccccn2)nc2[nH]ccc12
• InChI: InChI=1S/C19H18N10/c1-11-17(12(2)29(26-11)19-24-27-28-25-19)15-9-16(23-18-14(15)6-8-21-18)22-10-13-5-3-4-7-20-13/h3-9H,10H2,1-2H3,(H2,21,22,23)(H,24,25,27,28)
• InChIKey: FYCXMDLEPVXAAE-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 125.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.42
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethyl-1-(2H-tetrazol-5-yl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?

The IUPAC name of 4-[3,5-dimethyl-1-(2H-tetrazol-5-yl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56884296) is 4-[3,5-dimethyl-1-(2H-tetrazol-5-yl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

What is the SMILES notation for 4-[3,5-dimethyl-1-(2H-tetrazol-5-yl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?

The canonical SMILES for 4-[3,5-dimethyl-1-(2H-tetrazol-5-yl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is Cc1nn(-c2nn[nH]n2)c(C)c1-c1cc(NCc2ccccn2)nc2[nH]ccc12.

What is the InChIKey of 4-[3,5-dimethyl-1-(2H-tetrazol-5-yl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?

The InChIKey is FYCXMDLEPVXAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N10/c1-11-17(12(2)29(26-11)19-24-27-28-25-19)15-9-16(23-18-14(15)6-8-21-18)22-10-13-5-3-4-7-20-13/h3-9H,10H2,1-2H3,(H2,21,22,23)(H,24,25,27,28).

What are the key properties of 4-[3,5-dimethyl-1-(2H-tetrazol-5-yl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?

4-[3,5-dimethyl-1-(2H-tetrazol-5-yl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 386.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3,5-dimethyl-1-(2H-tetrazol-5-yl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56884296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).