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

C30H25F2N5O3 — CID 118197698

IUPAC1-(4-fluorophenyl)-N-[3-fluoro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(C3CCNCC3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H25F2N5O3/c31-21-3-6-23(7-4-21)36-15-1-2-24(30(36)39)29(38)35-22-5-8-27(25(32)17-22)40-28-16-20(19-9-12-33-13-10-19)18-37-26(28)11-14-34-37/h1-8,11,14-19,33H,9-10,12-13H2,(H,35,38)
InChIKeyQKAQCQMWMFZEPW-UHFFFAOYSA-N
MW541.56 g/mol
LogP5.28
Rot. Bonds6

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

1-(4-fluorophenyl)-N-[3-fluoro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide (PubChem CID 118197698) has the molecular formula C30H25F2N5O3 and a molecular weight of 541.56 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-fluoro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide
PubChem CID118197698
Molecular FormulaC30H25F2N5O3
Molecular Weight541.56 g/mol
Exact Mass541.19
IUPAC Name1-(4-fluorophenyl)-N-[3-fluoro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(C3CCNCC3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H25F2N5O3/c31-21-3-6-23(7-4-21)36-15-1-2-24(30(36)39)29(38)35-22-5-8-27(25(32)17-22)40-28-16-20(19-9-12-33-13-10-19)18-37-26(28)11-14-34-37/h1-8,11,14-19,33H,9-10,12-13H2,(H,35,38)
InChIKeyQKAQCQMWMFZEPW-UHFFFAOYSA-N
XLogP5.28
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.56
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide (CID 118197698) is 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide is O=C(Nc1ccc(Oc2cc(C3CCNCC3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide?
The InChIKey is QKAQCQMWMFZEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F2N5O3/c31-21-3-6-23(7-4-21)36-15-1-2-24(30(36)39)29(38)35-22-5-8-27(25(32)17-22)40-28-16-20(19-9-12-33-13-10-19)18-37-26(28)11-14-34-37/h1-8,11,14-19,33H,9-10,12-13H2,(H,35,38).
What are the key properties of 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide?
1-(4-fluorophenyl)-N-[3-fluoro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 541.56 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-fluoro-4-(6-piperidin-4-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 118197698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).