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

C30H22F2N6O3 — CID 118203881

IUPACN-[4-[6-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCc1c(-c2cc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c3ccnn3c2)cnn1C
InChIInChI=1S/C30H22F2N6O3/c1-18-24(16-34-36(18)2)19-14-28(26-11-12-33-38(26)17-19)41-27-10-7-21(15-25(27)32)35-29(39)23-4-3-13-37(30(23)40)22-8-5-20(31)6-9-22/h3-17H,1-2H3,(H,35,39)
InChIKeyKOLVTAPEHYDJSW-UHFFFAOYSA-N
MW552.54 g/mol
LogP5.52
Rot. Bonds6

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

N-[4-[6-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 118203881) has the molecular formula C30H22F2N6O3 and a molecular weight of 552.54 g/mol. Its IUPAC name is N-[4-[6-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID118203881
Molecular FormulaC30H22F2N6O3
Molecular Weight552.54 g/mol
Exact Mass552.17
IUPAC NameN-[4-[6-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCc1c(-c2cc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c3ccnn3c2)cnn1C
InChIInChI=1S/C30H22F2N6O3/c1-18-24(16-34-36(18)2)19-14-28(26-11-12-33-38(26)17-19)41-27-10-7-21(15-25(27)32)35-29(39)23-4-3-13-37(30(23)40)22-8-5-20(31)6-9-22/h3-17H,1-2H3,(H,35,39)
InChIKeyKOLVTAPEHYDJSW-UHFFFAOYSA-N
XLogP5.52
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.54
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[6-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[6-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 118203881) is N-[4-[6-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[6-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[6-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is Cc1c(-c2cc(Oc3ccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)cc3F)c3ccnn3c2)cnn1C.
What is the InChIKey of N-[4-[6-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is KOLVTAPEHYDJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F2N6O3/c1-18-24(16-34-36(18)2)19-14-28(26-11-12-33-38(26)17-19)41-27-10-7-21(15-25(27)32)35-29(39)23-4-3-13-37(30(23)40)22-8-5-20(31)6-9-22/h3-17H,1-2H3,(H,35,39).
What are the key properties of N-[4-[6-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[4-[6-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 552.54 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 118203881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).