N-[2-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1-methylpyrazole-3-carboxamide

C22H22FN5O3 — CID 110244989

IUPACN-[2-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(O)(c3cccnc3F)CC2)n1
InChIInChI=1S/C22H22FN5O3/c1-27-12-8-18(26-27)20(29)25-17-7-3-2-5-15(17)21(30)28-13-9-22(31,10-14-28)16-6-4-11-24-19(16)23/h2-8,11-12,31H,9-10,13-14H2,1H3,(H,25,29)
InChIKeyGXLAHPFSDOQSOF-UHFFFAOYSA-N
MW423.45 g/mol
LogP2.33
Rot. Bonds4

About N-[2-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1-methylpyrazole-3-carboxamide

N-[2-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 110244989) has the molecular formula C22H22FN5O3 and a molecular weight of 423.45 g/mol. Its IUPAC name is N-[2-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID110244989
Molecular FormulaC22H22FN5O3
Molecular Weight423.45 g/mol
Exact Mass423.17
IUPAC NameN-[2-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(O)(c3cccnc3F)CC2)n1
InChIInChI=1S/C22H22FN5O3/c1-27-12-8-18(26-27)20(29)25-17-7-3-2-5-15(17)21(30)28-13-9-22(31,10-14-28)16-6-4-11-24-19(16)23/h2-8,11-12,31H,9-10,13-14H2,1H3,(H,25,29)
InChIKeyGXLAHPFSDOQSOF-UHFFFAOYSA-N
XLogP2.33
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[2-[4-(quinolin-6-ylmethyl)azepane-1-carbonyl]phenyl]pyrazole-3-carboxamide
CID 110150496
N-[2-(3-benzyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 110151871
1-methyl-N-[2-[(3S)-3-(quinolin-8-ylmethyl)piperidine-1-carbonyl]phenyl]pyrazole-3-carboxamide
CID 129460009
7-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]-2-(2-methoxyethyl)-3H-isoindol-1-one
CID 95801017
benzyl 4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carboxylate
CID 12016071
1-methyl-N-[2-[(4S)-4-(quinolin-3-ylmethyl)azepane-1-carbonyl]phenyl]pyrazole-3-carboxamide
CID 129455613
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]methanone
CID 95800988
1-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 110244987
N-[2-[6-(isoquinolin-8-ylmethyl)-1,4-oxazepane-4-carbonyl]phenyl]-1-methylpyrazole-3-carboxamide
CID 132779939
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone
CID 139010957
1-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidin-1-yl]-3-(furan-2-yl)-4-methylpentan-1-one
CID 110220567
N-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide
CID 17420584

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1-methylpyrazole-3-carboxamide (CID 110244989) is N-[2-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(O)(c3cccnc3F)CC2)n1.
What is the InChIKey of N-[2-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is GXLAHPFSDOQSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3/c1-27-12-8-18(26-27)20(29)25-17-7-3-2-5-15(17)21(30)28-13-9-22(31,10-14-28)16-6-4-11-24-19(16)23/h2-8,11-12,31H,9-10,13-14H2,1H3,(H,25,29).
What are the key properties of N-[2-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1-methylpyrazole-3-carboxamide?
N-[2-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110244989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).