N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine

C25H21N9 — CID 137110353

About N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine

N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine (PubChem CID 137110353) has the molecular formula C25H21N9 and a molecular weight of 447.51 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine.

Molecular Properties

• Compound Name: N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
• PubChem CID: 137110353
• Molecular Formula: C25H21N9
• Molecular Weight: 447.51 g/mol
• Exact Mass: 447.19
• IUPAC Name: N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine
• SMILES: CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3n2)c1
• InChI: InChI=1S/C25H21N9/c1-34(2)14-15-9-16(11-26-10-15)18-6-7-20-23(29-18)24(33-32-20)25-30-21-13-27-12-17(22(21)31-25)19-5-3-4-8-28-19/h3-13H,14H2,1-2H3,(H,30,31)(H,32,33)
• InChIKey: UZMZTHXKINZFNR-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 112.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.51
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine?

The IUPAC name of N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine (CID 137110353) is N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine.

What is the SMILES notation for N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine?

The canonical SMILES for N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine is CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3n2)c1.

What is the InChIKey of N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine?

The InChIKey is UZMZTHXKINZFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N9/c1-34(2)14-15-9-16(11-26-10-15)18-6-7-20-23(29-18)24(33-32-20)25-30-21-13-27-12-17(22(21)31-25)19-5-3-4-8-28-19/h3-13H,14H2,1-2H3,(H,30,31)(H,32,33).

What are the key properties of N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine?

N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine has a molecular weight of 447.51 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 137110353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).