4-ethoxy-1-(4-fluorophenyl)-N-[4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide

C31H25FN6O4 — CID 118203854

IUPAC4-ethoxy-1-(4-fluorophenyl)-N-[4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
SMILESCCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2cc(-c3cn(C)cn3)cn3nccc23)cc1
InChIInChI=1S/C31H25FN6O4/c1-3-41-27-13-15-37(23-8-4-21(32)5-9-23)31(40)29(27)30(39)35-22-6-10-24(11-7-22)42-28-16-20(25-18-36(2)19-33-25)17-38-26(28)12-14-34-38/h4-19H,3H2,1-2H3,(H,35,39)
InChIKeySXVDBTNVCIFLGZ-UHFFFAOYSA-N
MW564.58 g/mol
LogP5.47
Rot. Bonds8

About 4-ethoxy-1-(4-fluorophenyl)-N-[4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide

4-ethoxy-1-(4-fluorophenyl)-N-[4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide (PubChem CID 118203854) has the molecular formula C31H25FN6O4 and a molecular weight of 564.58 g/mol. Its IUPAC name is 4-ethoxy-1-(4-fluorophenyl)-N-[4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-ethoxy-1-(4-fluorophenyl)-N-[4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
PubChem CID118203854
Molecular FormulaC31H25FN6O4
Molecular Weight564.58 g/mol
Exact Mass564.19
IUPAC Name4-ethoxy-1-(4-fluorophenyl)-N-[4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
SMILESCCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2cc(-c3cn(C)cn3)cn3nccc23)cc1
InChIInChI=1S/C31H25FN6O4/c1-3-41-27-13-15-37(23-8-4-21(32)5-9-23)31(40)29(27)30(39)35-22-6-10-24(11-7-22)42-28-16-20(25-18-36(2)19-33-25)17-38-26(28)12-14-34-38/h4-19H,3H2,1-2H3,(H,35,39)
InChIKeySXVDBTNVCIFLGZ-UHFFFAOYSA-N
XLogP5.47
TPSA104.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.58
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-fluorophenyl)-N-[4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 4-ethoxy-1-(4-fluorophenyl)-N-[4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide (CID 118203854) is 4-ethoxy-1-(4-fluorophenyl)-N-[4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-ethoxy-1-(4-fluorophenyl)-N-[4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 4-ethoxy-1-(4-fluorophenyl)-N-[4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide is CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2cc(-c3cn(C)cn3)cn3nccc23)cc1.
What is the InChIKey of 4-ethoxy-1-(4-fluorophenyl)-N-[4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is SXVDBTNVCIFLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25FN6O4/c1-3-41-27-13-15-37(23-8-4-21(32)5-9-23)31(40)29(27)30(39)35-22-6-10-24(11-7-22)42-28-16-20(25-18-36(2)19-33-25)17-38-26(28)12-14-34-38/h4-19H,3H2,1-2H3,(H,35,39).
What are the key properties of 4-ethoxy-1-(4-fluorophenyl)-N-[4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide?
4-ethoxy-1-(4-fluorophenyl)-N-[4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 564.58 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-fluorophenyl)-N-[4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 118203854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).