N-propan-2-yl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

C21H19N7 — CID 137039533

About N-propan-2-yl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

N-propan-2-yl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 137039533) has the molecular formula C21H19N7 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-propan-2-yl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-propan-2-yl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 137039533
• Molecular Formula: C21H19N7
• Molecular Weight: 369.43 g/mol
• Exact Mass: 369.17
• IUPAC Name: N-propan-2-yl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• SMILES: CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C21H19N7/c1-12(2)24-15-7-13(10-23-11-15)16-3-4-18-20(26-16)21(28-27-18)19-8-14-9-22-6-5-17(14)25-19/h3-12,24-25H,1-2H3,(H,27,28)
• InChIKey: WFYNFXZIGPUJQH-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.43
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

The IUPAC name of N-propan-2-yl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (CID 137039533) is N-propan-2-yl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

What is the SMILES notation for N-propan-2-yl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

The canonical SMILES for N-propan-2-yl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5cnccc5[nH]4)c3n2)c1.

What is the InChIKey of N-propan-2-yl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

The InChIKey is WFYNFXZIGPUJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7/c1-12(2)24-15-7-13(10-23-11-15)16-3-4-18-20(26-16)21(28-27-18)19-8-14-9-22-6-5-17(14)25-19/h3-12,24-25H,1-2H3,(H,27,28).

What are the key properties of N-propan-2-yl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

N-propan-2-yl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 369.43 g/mol, XLogP of 4.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-propan-2-yl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 137039533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).