4-[7-[4-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6,8-difluoro-2-methylquinoline

C30H27F2N5 — CID 139495359

About 4-[7-[4-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6,8-difluoro-2-methylquinoline

4-[7-[4-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6,8-difluoro-2-methylquinoline (PubChem CID 139495359) has the molecular formula C30H27F2N5 and a molecular weight of 495.58 g/mol. Its IUPAC name is 4-[7-[4-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6,8-difluoro-2-methylquinoline.

Molecular Properties

• Compound Name: 4-[7-[4-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6,8-difluoro-2-methylquinoline
• PubChem CID: 139495359
• Molecular Formula: C30H27F2N5
• Molecular Weight: 495.58 g/mol
• Exact Mass: 495.22
• IUPAC Name: 4-[7-[4-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6,8-difluoro-2-methylquinoline
• SMILES: Cc1cc(-c2cnc3cc(-c4ccc(N5CC6(CCNCC6)C5)cc4)ccn23)c2cc(F)cc(F)c2n1
• InChI: InChI=1S/C30H27F2N5/c1-19-12-24(25-14-22(31)15-26(32)29(25)35-19)27-16-34-28-13-21(6-11-37(27)28)20-2-4-23(5-3-20)36-17-30(18-36)7-9-33-10-8-30/h2-6,11-16,33H,7-10,17-18H2,1H3
• InChIKey: WRZXJWKRMIUVFD-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 45.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.58
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[7-[4-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6,8-difluoro-2-methylquinoline?

The IUPAC name of 4-[7-[4-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6,8-difluoro-2-methylquinoline (CID 139495359) is 4-[7-[4-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6,8-difluoro-2-methylquinoline.

What is the SMILES notation for 4-[7-[4-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6,8-difluoro-2-methylquinoline?

The canonical SMILES for 4-[7-[4-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6,8-difluoro-2-methylquinoline is Cc1cc(-c2cnc3cc(-c4ccc(N5CC6(CCNCC6)C5)cc4)ccn23)c2cc(F)cc(F)c2n1.

What is the InChIKey of 4-[7-[4-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6,8-difluoro-2-methylquinoline?

The InChIKey is WRZXJWKRMIUVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F2N5/c1-19-12-24(25-14-22(31)15-26(32)29(25)35-19)27-16-34-28-13-21(6-11-37(27)28)20-2-4-23(5-3-20)36-17-30(18-36)7-9-33-10-8-30/h2-6,11-16,33H,7-10,17-18H2,1H3.

What are the key properties of 4-[7-[4-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6,8-difluoro-2-methylquinoline?

4-[7-[4-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6,8-difluoro-2-methylquinoline has a molecular weight of 495.58 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[4-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6,8-difluoro-2-methylquinoline is sourced from PubChem (CID 139495359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).