N-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine

C16H21N5 — CID 66410806

About N-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine

N-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine (PubChem CID 66410806) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine.

Molecular Properties

• Compound Name: N-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
• PubChem CID: 66410806
• Molecular Formula: C16H21N5
• Molecular Weight: 283.38 g/mol
• Exact Mass: 283.18
• IUPAC Name: N-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
• SMILES: CNCc1cn(Cc2ccn(C(C)C)n2)c2ncccc12
• InChI: InChI=1S/C16H21N5/c1-12(2)21-8-6-14(19-21)11-20-10-13(9-17-3)15-5-4-7-18-16(15)20/h4-8,10,12,17H,9,11H2,1-3H3
• InChIKey: UFCXVZIAXSUYGE-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 47.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	283.38
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?

The IUPAC name of N-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine (CID 66410806) is N-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine.

What is the SMILES notation for N-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?

The canonical SMILES for N-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine is CNCc1cn(Cc2ccn(C(C)C)n2)c2ncccc12.

What is the InChIKey of N-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?

The InChIKey is UFCXVZIAXSUYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-12(2)21-8-6-14(19-21)11-20-10-13(9-17-3)15-5-4-7-18-16(15)20/h4-8,10,12,17H,9,11H2,1-3H3.

What are the key properties of N-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?

N-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine has a molecular weight of 283.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine is sourced from PubChem (CID 66410806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).