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

C32H29F2N5O4 — CID 118203887

IUPACN-[3-fluoro-4-[6-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(C3CCN(CCO)CC3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C32H29F2N5O4/c33-23-3-6-25(7-4-23)38-13-1-2-26(32(38)42)31(41)36-24-5-8-29(27(34)19-24)43-30-18-22(20-39-28(30)9-12-35-39)21-10-14-37(15-11-21)16-17-40/h1-9,12-13,18-21,40H,10-11,14-17H2,(H,36,41)
InChIKeyGLCLYVWIKJNOCC-UHFFFAOYSA-N
MW585.61 g/mol
LogP4.98
Rot. Bonds8

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

N-[3-fluoro-4-[6-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 118203887) has the molecular formula C32H29F2N5O4 and a molecular weight of 585.61 g/mol. Its IUPAC name is N-[3-fluoro-4-[6-[1-(2-hydroxyethyl)piperidin-4-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-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID118203887
Molecular FormulaC32H29F2N5O4
Molecular Weight585.61 g/mol
Exact Mass585.22
IUPAC NameN-[3-fluoro-4-[6-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(C3CCN(CCO)CC3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C32H29F2N5O4/c33-23-3-6-25(7-4-23)38-13-1-2-26(32(38)42)31(41)36-24-5-8-29(27(34)19-24)43-30-18-22(20-39-28(30)9-12-35-39)21-10-14-37(15-11-21)16-17-40/h1-9,12-13,18-21,40H,10-11,14-17H2,(H,36,41)
InChIKeyGLCLYVWIKJNOCC-UHFFFAOYSA-N
XLogP4.98
TPSA101.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.61
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[6-[1-(2-hydroxyethyl)piperidin-4-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-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 118203887) is N-[3-fluoro-4-[6-[1-(2-hydroxyethyl)piperidin-4-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-(2-hydroxyethyl)piperidin-4-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-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is O=C(Nc1ccc(Oc2cc(C3CCN(CCO)CC3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-[3-fluoro-4-[6-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is GLCLYVWIKJNOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F2N5O4/c33-23-3-6-25(7-4-23)38-13-1-2-26(32(38)42)31(41)36-24-5-8-29(27(34)19-24)43-30-18-22(20-39-28(30)9-12-35-39)21-10-14-37(15-11-21)16-17-40/h1-9,12-13,18-21,40H,10-11,14-17H2,(H,36,41).
What are the key properties of N-[3-fluoro-4-[6-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[3-fluoro-4-[6-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 585.61 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[6-[1-(2-hydroxyethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 118203887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).