[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone

C21H22FN5O2 — CID 10023598

IUPAC[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCN(C)CC3)cc2-c2ccc(F)cc2)cn1
InChIInChI=1S/C21H22FN5O2/c1-25-9-11-26(12-10-25)21(28)18-13-19(15-3-5-16(22)6-4-15)27(24-18)17-7-8-20(29-2)23-14-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeyOVOIRUMEVNEAJJ-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.47
Rot. Bonds4

About [5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone

[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 10023598) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID10023598
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCN(C)CC3)cc2-c2ccc(F)cc2)cn1
InChIInChI=1S/C21H22FN5O2/c1-25-9-11-26(12-10-25)21(28)18-13-19(15-3-5-16(22)6-4-15)27(24-18)17-7-8-20(29-2)23-14-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeyOVOIRUMEVNEAJJ-UHFFFAOYSA-N
XLogP2.47
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 23090599
[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 11538172
[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone
CID 23090606
[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 23110200
[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 10406457
[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 23090210
[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 11660663
[1-(6-methoxy-3-pyridinyl)-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 11675293
N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(piperidine-1-carbonyl)pyrazol-5-yl]phenyl]methyl]ethanesulfonamide
CID 154455929
tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(piperidine-1-carbonyl)pyrazol-5-yl]phenyl]methyl]carbamate
CID 123706337
4-[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-3-yl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one
CID 59003677
[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 23090523

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 10023598) is [5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone is COc1ccc(-n2nc(C(=O)N3CCN(C)CC3)cc2-c2ccc(F)cc2)cn1.
What is the InChIKey of [5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is OVOIRUMEVNEAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-25-9-11-26(12-10-25)21(28)18-13-19(15-3-5-16(22)6-4-15)27(24-18)17-7-8-20(29-2)23-14-17/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of [5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 395.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 10023598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).