N-hex-1-en-2-yl-5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

C27H26N10 — CID 145248773

About N-hex-1-en-2-yl-5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

N-hex-1-en-2-yl-5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 145248773) has the molecular formula C27H26N10 and a molecular weight of 490.58 g/mol. Its IUPAC name is N-hex-1-en-2-yl-5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-hex-1-en-2-yl-5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 145248773
• Molecular Formula: C27H26N10
• Molecular Weight: 490.58 g/mol
• Exact Mass: 490.23
• IUPAC Name: N-hex-1-en-2-yl-5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• SMILES: C=C(CCCC)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-n6cnc(C)c6)cncc5[nH]4)c3n2)c1
• InChI: InChI=1S/C27H26N10/c1-4-5-6-16(2)31-19-9-18(10-28-11-19)20-7-8-21-25(32-20)26(36-35-21)27-33-22-12-29-13-23(24(22)34-27)37-14-17(3)30-15-37/h7-15,31H,2,4-6H2,1,3H3,(H,33,34)(H,35,36)
• InChIKey: RRAFHSJKQVIOHU-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 125.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.58
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-hex-1-en-2-yl-5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

The IUPAC name of N-hex-1-en-2-yl-5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (CID 145248773) is N-hex-1-en-2-yl-5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

What is the SMILES notation for N-hex-1-en-2-yl-5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

The canonical SMILES for N-hex-1-en-2-yl-5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is C=C(CCCC)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-n6cnc(C)c6)cncc5[nH]4)c3n2)c1.

What is the InChIKey of N-hex-1-en-2-yl-5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

The InChIKey is RRAFHSJKQVIOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N10/c1-4-5-6-16(2)31-19-9-18(10-28-11-19)20-7-8-21-25(32-20)26(36-35-21)27-33-22-12-29-13-23(24(22)34-27)37-14-17(3)30-15-37/h7-15,31H,2,4-6H2,1,3H3,(H,33,34)(H,35,36).

What are the key properties of N-hex-1-en-2-yl-5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?

N-hex-1-en-2-yl-5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 490.58 g/mol, XLogP of 5.57, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-hex-1-en-2-yl-5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 145248773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).