6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinolin-4-amine;ethane

C32H32N8 — CID 157044146

About 6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinolin-4-amine;ethane

6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinolin-4-amine;ethane (PubChem CID 157044146) has the molecular formula C32H32N8 and a molecular weight of 528.66 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinolin-4-amine;ethane.

Molecular Properties

• Compound Name: 6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinolin-4-amine;ethane
• PubChem CID: 157044146
• Molecular Formula: C32H32N8
• Molecular Weight: 528.66 g/mol
• Exact Mass: 528.27
• IUPAC Name: 6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinolin-4-amine;ethane
• SMILES: CC.Cc1cc(Nc2cnc3nc(-c4ccc(Nc5ccnc6ccc(N7CCC7)cc56)cc4)[nH]c3c2)ccn1
• InChI: InChI=1S/C30H26N8.C2H6/c1-19-15-22(9-11-31-19)34-23-16-28-30(33-18-23)37-29(36-28)20-3-5-21(6-4-20)35-27-10-12-32-26-8-7-24(17-25(26)27)38-13-2-14-38;1-2/h3-12,15-18H,2,13-14H2,1H3,(H,31,34)(H,32,35)(H,33,36,37);1-2H3
• InChIKey: MSAMDDDZIXDUGK-UHFFFAOYSA-N
• XLogP: 7.60
• TPSA: 94.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.66
LogP ≤ 5	7.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinolin-4-amine;ethane?

The IUPAC name of 6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinolin-4-amine;ethane (CID 157044146) is 6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinolin-4-amine;ethane.

What is the SMILES notation for 6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinolin-4-amine;ethane?

The canonical SMILES for 6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinolin-4-amine;ethane is CC.Cc1cc(Nc2cnc3nc(-c4ccc(Nc5ccnc6ccc(N7CCC7)cc56)cc4)[nH]c3c2)ccn1.

What is the InChIKey of 6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinolin-4-amine;ethane?

The InChIKey is MSAMDDDZIXDUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N8.C2H6/c1-19-15-22(9-11-31-19)34-23-16-28-30(33-18-23)37-29(36-28)20-3-5-21(6-4-20)35-27-10-12-32-26-8-7-24(17-25(26)27)38-13-2-14-38;1-2/h3-12,15-18H,2,13-14H2,1H3,(H,31,34)(H,32,35)(H,33,36,37);1-2H3.

What are the key properties of 6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinolin-4-amine;ethane?

6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinolin-4-amine;ethane has a molecular weight of 528.66 g/mol, XLogP of 7.60, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(azetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinolin-4-amine;ethane is sourced from PubChem (CID 157044146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).