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

C29H20F2N6O3 — CID 118203899

IUPACN-[3-fluoro-4-[6-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCn1ccnc1-c1cc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c2ccnn2c1
InChIInChI=1S/C29H20F2N6O3/c1-35-14-12-32-27(35)18-15-26(24-10-11-33-37(24)17-18)40-25-9-6-20(16-23(25)31)34-28(38)22-3-2-13-36(29(22)39)21-7-4-19(30)5-8-21/h2-17H,1H3,(H,34,38)
InChIKeyLINIZHKCYZTRMS-UHFFFAOYSA-N
MW538.51 g/mol
LogP5.21
Rot. Bonds6

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

N-[3-fluoro-4-[6-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 118203899) has the molecular formula C29H20F2N6O3 and a molecular weight of 538.51 g/mol. Its IUPAC name is N-[3-fluoro-4-[6-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[6-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID118203899
Molecular FormulaC29H20F2N6O3
Molecular Weight538.51 g/mol
Exact Mass538.16
IUPAC NameN-[3-fluoro-4-[6-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCn1ccnc1-c1cc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c2ccnn2c1
InChIInChI=1S/C29H20F2N6O3/c1-35-14-12-32-27(35)18-15-26(24-10-11-33-37(24)17-18)40-25-9-6-20(16-23(25)31)34-28(38)22-3-2-13-36(29(22)39)21-7-4-19(30)5-8-21/h2-17H,1H3,(H,34,38)
InChIKeyLINIZHKCYZTRMS-UHFFFAOYSA-N
XLogP5.21
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.51
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[6-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[6-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 118203899) is N-[3-fluoro-4-[6-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[6-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[6-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is Cn1ccnc1-c1cc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c2ccnn2c1.
What is the InChIKey of N-[3-fluoro-4-[6-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is LINIZHKCYZTRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F2N6O3/c1-35-14-12-32-27(35)18-15-26(24-10-11-33-37(24)17-18)40-25-9-6-20(16-23(25)31)34-28(38)22-3-2-13-36(29(22)39)21-7-4-19(30)5-8-21/h2-17H,1H3,(H,34,38).
What are the key properties of N-[3-fluoro-4-[6-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[3-fluoro-4-[6-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 538.51 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[6-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 118203899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).