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

C34H28FN5O5 — CID 175856658

IUPAC4-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-1-(2-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cc2ncnc(Oc3ccc(C4CCCn5c4c(C(N)=O)c(=O)n5-c4ccccc4F)c4ccccc34)c2cc1OC
InChIInChI=1S/C34H28FN5O5/c1-43-28-16-23-25(17-29(28)44-2)37-18-38-33(23)45-27-14-13-20(19-8-3-4-9-21(19)27)22-10-7-15-39-31(22)30(32(36)41)34(42)40(39)26-12-6-5-11-24(26)35/h3-6,8-9,11-14,16-18,22H,7,10,15H2,1-2H3,(H2,36,41)
InChIKeyZYJQISGHGBEBPX-UHFFFAOYSA-N
MW605.63 g/mol
LogP5.71
Rot. Bonds7

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

4-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-1-(2-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 175856658) has the molecular formula C34H28FN5O5 and a molecular weight of 605.63 g/mol. Its IUPAC name is 4-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-1-(2-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-1-(2-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID175856658
Molecular FormulaC34H28FN5O5
Molecular Weight605.63 g/mol
Exact Mass605.21
IUPAC Name4-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-1-(2-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cc2ncnc(Oc3ccc(C4CCCn5c4c(C(N)=O)c(=O)n5-c4ccccc4F)c4ccccc34)c2cc1OC
InChIInChI=1S/C34H28FN5O5/c1-43-28-16-23-25(17-29(28)44-2)37-18-38-33(23)45-27-14-13-20(19-8-3-4-9-21(19)27)22-10-7-15-39-31(22)30(32(36)41)34(42)40(39)26-12-6-5-11-24(26)35/h3-6,8-9,11-14,16-18,22H,7,10,15H2,1-2H3,(H2,36,41)
InChIKeyZYJQISGHGBEBPX-UHFFFAOYSA-N
XLogP5.71
TPSA123.49 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.63
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-1-(2-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-1-(2-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 4-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-1-(2-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 175856658) is 4-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-1-(2-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 4-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-1-(2-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 4-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-1-(2-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is COc1cc2ncnc(Oc3ccc(C4CCCn5c4c(C(N)=O)c(=O)n5-c4ccccc4F)c4ccccc34)c2cc1OC.
What is the InChIKey of 4-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-1-(2-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ZYJQISGHGBEBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28FN5O5/c1-43-28-16-23-25(17-29(28)44-2)37-18-38-33(23)45-27-14-13-20(19-8-3-4-9-21(19)27)22-10-7-15-39-31(22)30(32(36)41)34(42)40(39)26-12-6-5-11-24(26)35/h3-6,8-9,11-14,16-18,22H,7,10,15H2,1-2H3,(H2,36,41).
What are the key properties of 4-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-1-(2-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
4-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-1-(2-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 605.63 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-1-(2-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 175856658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).