N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide

C26H24FN7O3 — CID 154654365

IUPACN-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1cncc(-c2cccc(F)c2)c1)c1cncc(OC2CCNCC2)c1
InChIInChI=1S/C26H24FN7O3/c27-19-3-1-2-16(8-19)17-9-20(13-29-11-17)32-26(36)24-23(15-31-34-24)33-25(35)18-10-22(14-30-12-18)37-21-4-6-28-7-5-21/h1-3,8-15,21,28H,4-7H2,(H,31,34)(H,32,36)(H,33,35)
InChIKeyGZVNTYHVMHCXBO-UHFFFAOYSA-N
MW501.52 g/mol
LogP3.64
Rot. Bonds7

About N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide

N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide (PubChem CID 154654365) has the molecular formula C26H24FN7O3 and a molecular weight of 501.52 g/mol. Its IUPAC name is N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide
PubChem CID154654365
Molecular FormulaC26H24FN7O3
Molecular Weight501.52 g/mol
Exact Mass501.19
IUPAC NameN-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1cncc(-c2cccc(F)c2)c1)c1cncc(OC2CCNCC2)c1
InChIInChI=1S/C26H24FN7O3/c27-19-3-1-2-16(8-19)17-9-20(13-29-11-17)32-26(36)24-23(15-31-34-24)33-25(35)18-10-22(14-30-12-18)37-21-4-6-28-7-5-21/h1-3,8-15,21,28H,4-7H2,(H,31,34)(H,32,36)(H,33,35)
InChIKeyGZVNTYHVMHCXBO-UHFFFAOYSA-N
XLogP3.64
TPSA133.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.52
LogP ≤ 53.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(R)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-((5-isopropoxypyridin-3-yl)amino)nicotinamide
CID 138703753
(R)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-((5-ethoxypyridin-3-yl)amino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)nicotinamide
CID 138704715
US11339157, Example 7
CID 142566502
US11339157, Example 3
CID 142566514
4-[2-(5-piperidin-4-yloxy-3-pyridinyl)ethynyl]-N-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 154654392
N-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazole-5-carboxamide
CID 154654432
3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 49792638
1H-indazol-3-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
CID 71724975
N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]pyridazine-3-carboxamide
CID 124156885
N-[5-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide
CID 154654067
5-methoxy-N-[5-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654093
5-methoxy-N-[5-(1,2,3,4-tetrahydroisoquinolin-6-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654108

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide?
The IUPAC name of N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide (CID 154654365) is N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide?
The canonical SMILES for N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide is O=C(Nc1cn[nH]c1C(=O)Nc1cncc(-c2cccc(F)c2)c1)c1cncc(OC2CCNCC2)c1.
What is the InChIKey of N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide?
The InChIKey is GZVNTYHVMHCXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O3/c27-19-3-1-2-16(8-19)17-9-20(13-29-11-17)32-26(36)24-23(15-31-34-24)33-25(35)18-10-22(14-30-12-18)37-21-4-6-28-7-5-21/h1-3,8-15,21,28H,4-7H2,(H,31,34)(H,32,36)(H,33,35).
What are the key properties of N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide?
N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide has a molecular weight of 501.52 g/mol, XLogP of 3.64, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-piperidin-4-yloxypyridine-3-carboxamide is sourced from PubChem (CID 154654365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).