1-(2,5-difluorophenyl)-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C34H27F2N5O5 — CID 150526455

About 1-(2,5-difluorophenyl)-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

1-(2,5-difluorophenyl)-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 150526455) has the molecular formula C34H27F2N5O5 and a molecular weight of 623.62 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,5-difluorophenyl)-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 150526455
• Molecular Formula: C34H27F2N5O5
• Molecular Weight: 623.62 g/mol
• Exact Mass: 623.20
• IUPAC Name: 1-(2,5-difluorophenyl)-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: COc1cc2ncnc(Oc3ccc(NC(=O)c4c5n(n(-c6cc(F)ccc6F)c4=O)CCCC5)c4ccccc34)c2cc1OC
• InChI: InChI=1S/C34H27F2N5O5/c1-44-29-16-22-25(17-30(29)45-2)37-18-38-33(22)46-28-13-12-24(20-7-3-4-8-21(20)28)39-32(42)31-26-9-5-6-14-40(26)41(34(31)43)27-15-19(35)10-11-23(27)36/h3-4,7-8,10-13,15-18H,5-6,9,14H2,1-2H3,(H,39,42)
• InChIKey: ICXLJJCUWDMUNT-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 109.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.62
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 1-(2,5-difluorophenyl)-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 150526455) is 1-(2,5-difluorophenyl)-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 1-(2,5-difluorophenyl)-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is COc1cc2ncnc(Oc3ccc(NC(=O)c4c5n(n(-c6cc(F)ccc6F)c4=O)CCCC5)c4ccccc34)c2cc1OC.

What is the InChIKey of 1-(2,5-difluorophenyl)-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is ICXLJJCUWDMUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27F2N5O5/c1-44-29-16-22-25(17-30(29)45-2)37-18-38-33(22)46-28-13-12-24(20-7-3-4-8-21(20)28)39-32(42)31-26-9-5-6-14-40(26)41(34(31)43)27-15-19(35)10-11-23(27)36/h3-4,7-8,10-13,15-18H,5-6,9,14H2,1-2H3,(H,39,42).

What are the key properties of 1-(2,5-difluorophenyl)-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

1-(2,5-difluorophenyl)-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 623.62 g/mol, XLogP of 6.41, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,5-difluorophenyl)-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 150526455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).