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

C27H25N9 — CID 145033545

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

N,N-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propan-1-amine (PubChem CID 145033545) has the molecular formula C27H25N9 and a molecular weight of 475.56 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propan-1-amine.

Molecular Properties

• Compound Name: N,N-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propan-1-amine
• PubChem CID: 145033545
• Molecular Formula: C27H25N9
• Molecular Weight: 475.56 g/mol
• Exact Mass: 475.22
• IUPAC Name: N,N-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propan-1-amine
• SMILES: CN(C)CCCc1cncc(-c2cc3c(-c4nc5c(-c6ccccn6)nccc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C27H25N9/c1-36(2)11-5-6-17-12-18(15-28-14-17)22-13-19-23(16-31-22)34-35-24(19)27-32-21-8-10-30-25(26(21)33-27)20-7-3-4-9-29-20/h3-4,7-10,12-16H,5-6,11H2,1-2H3,(H,32,33)(H,34,35)
• InChIKey: ONEGJKKLCDKWEN-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 112.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.56
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N,N-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propan-1-amine (CID 145033545) is N,N-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propan-1-amine.

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

The canonical SMILES for N,N-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propan-1-amine is CN(C)CCCc1cncc(-c2cc3c(-c4nc5c(-c6ccccn6)nccc5[nH]4)n[nH]c3cn2)c1.

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

The InChIKey is ONEGJKKLCDKWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N9/c1-36(2)11-5-6-17-12-18(15-28-14-17)22-13-19-23(16-31-22)34-35-24(19)27-32-21-8-10-30-25(26(21)33-27)20-7-3-4-9-29-20/h3-4,7-10,12-16H,5-6,11H2,1-2H3,(H,32,33)(H,34,35).

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

N,N-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propan-1-amine has a molecular weight of 475.56 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-3-[5-[3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propan-1-amine is sourced from PubChem (CID 145033545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).