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

C34H35F2N5O7 — CID 175092040

IUPAC4-[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
SMILESCOCCOc1cc2ncnc(OC3(F)C=CC(C4CCCn5c4c(C(N)=O)c(=O)n5-c4ccccc4F)=CC3)c2cc1OCCOC
InChIInChI=1S/C34H35F2N5O7/c1-44-14-16-46-27-18-23-25(19-28(27)47-17-15-45-2)38-20-39-32(23)48-34(36)11-9-21(10-12-34)22-6-5-13-40-30(22)29(31(37)42)33(43)41(40)26-8-4-3-7-24(26)35/h3-4,7-11,18-20,22H,5-6,12-17H2,1-2H3,(H2,37,42)
InChIKeyPSNXWOWWUBDSPL-UHFFFAOYSA-N
MW663.68 g/mol
LogP4.38
Rot. Bonds13

About 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

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 (PubChem CID 175092040) has the molecular formula C34H35F2N5O7 and a molecular weight of 663.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID175092040
Molecular FormulaC34H35F2N5O7
Molecular Weight663.68 g/mol
Exact Mass663.25
IUPAC Name4-[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
SMILESCOCCOc1cc2ncnc(OC3(F)C=CC(C4CCCn5c4c(C(N)=O)c(=O)n5-c4ccccc4F)=CC3)c2cc1OCCOC
InChIInChI=1S/C34H35F2N5O7/c1-44-14-16-46-27-18-23-25(19-28(27)47-17-15-45-2)38-20-39-32(23)48-34(36)11-9-21(10-12-34)22-6-5-13-40-30(22)29(31(37)42)33(43)41(40)26-8-4-3-7-24(26)35/h3-4,7-11,18-20,22H,5-6,12-17H2,1-2H3,(H2,37,42)
InChIKeyPSNXWOWWUBDSPL-UHFFFAOYSA-N
XLogP4.38
TPSA141.95 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.68
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCOc1cc2ncnc(OC3(F)C=CC(C4CCCn5c4c(C(N)=O)c(=O)n5-c4ccccc4F)=CC3)c2cc1OCCOC.
What is the InChIKey of 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?
The InChIKey is PSNXWOWWUBDSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F2N5O7/c1-44-14-16-46-27-18-23-25(19-28(27)47-17-15-45-2)38-20-39-32(23)48-34(36)11-9-21(10-12-34)22-6-5-13-40-30(22)29(31(37)42)33(43)41(40)26-8-4-3-7-24(26)35/h3-4,7-11,18-20,22H,5-6,12-17H2,1-2H3,(H2,37,42).
What are the key properties of 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?
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 has a molecular weight of 663.68 g/mol, XLogP of 4.38, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175092040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).