4-[4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C36H31N5O5 — CID 175856632

IUPAC4-[4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cc2c(Oc3ccc(C4CCCn5c4c(C(N)=O)c(=O)n5-c4ccccc4)cc3)ncnc2cc1OCc1ccccc1
InChIInChI=1S/C36H31N5O5/c1-44-30-19-28-29(20-31(30)45-21-23-9-4-2-5-10-23)38-22-39-35(28)46-26-16-14-24(15-17-26)27-13-8-18-40-33(27)32(34(37)42)36(43)41(40)25-11-6-3-7-12-25/h2-7,9-12,14-17,19-20,22,27H,8,13,18,21H2,1H3,(H2,37,42)
InChIKeyKUUGFAHVUMHMSL-UHFFFAOYSA-N
MW613.67 g/mol
LogP5.99
Rot. Bonds9

About 4-[4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

4-[4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 175856632) has the molecular formula C36H31N5O5 and a molecular weight of 613.67 g/mol. Its IUPAC name is 4-[4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID175856632
Molecular FormulaC36H31N5O5
Molecular Weight613.67 g/mol
Exact Mass613.23
IUPAC Name4-[4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cc2c(Oc3ccc(C4CCCn5c4c(C(N)=O)c(=O)n5-c4ccccc4)cc3)ncnc2cc1OCc1ccccc1
InChIInChI=1S/C36H31N5O5/c1-44-30-19-28-29(20-31(30)45-21-23-9-4-2-5-10-23)38-22-39-35(28)46-26-16-14-24(15-17-26)27-13-8-18-40-33(27)32(34(37)42)36(43)41(40)25-11-6-3-7-12-25/h2-7,9-12,14-17,19-20,22,27H,8,13,18,21H2,1H3,(H2,37,42)
InChIKeyKUUGFAHVUMHMSL-UHFFFAOYSA-N
XLogP5.99
TPSA123.49 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.67
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxyphenyl]-1-(4-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 175856715
4-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-2-fluorophenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 175088277
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
4-[5-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-2-pyridinyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 175087205
4-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 175902657
4-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-4-fluorocyclohexa-1,5-dien-1-yl]-1-(2-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 175092040
1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 58738951
3-[2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-methylphenyl]acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one
CID 158942229
5-fluoro-6-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-1H-pyrimidin-2-one
CID 97044038
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride
CID 86238128
1-[2-chloro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methylphenyl)urea
CID 164900895
3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-1-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one
CID 159265292

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 4-[4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 175856632) is 4-[4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 4-[4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 4-[4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is COc1cc2c(Oc3ccc(C4CCCn5c4c(C(N)=O)c(=O)n5-c4ccccc4)cc3)ncnc2cc1OCc1ccccc1.
What is the InChIKey of 4-[4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is KUUGFAHVUMHMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N5O5/c1-44-30-19-28-29(20-31(30)45-21-23-9-4-2-5-10-23)38-22-39-35(28)46-26-16-14-24(15-17-26)27-13-8-18-40-33(27)32(34(37)42)36(43)41(40)25-11-6-3-7-12-25/h2-7,9-12,14-17,19-20,22,27H,8,13,18,21H2,1H3,(H2,37,42).
What are the key properties of 4-[4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
4-[4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 613.67 g/mol, XLogP of 5.99, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 175856632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).