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

C22H25N5O2 — CID 23090599

IUPAC[1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCN(C)CC3)cc2-c2ccc(C)cc2)cn1
InChIInChI=1S/C22H25N5O2/c1-16-4-6-17(7-5-16)20-14-19(22(28)26-12-10-25(2)11-13-26)24-27(20)18-8-9-21(29-3)23-15-18/h4-9,14-15H,10-13H2,1-3H3
InChIKeyVIERCQHRWCBFGQ-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.64
Rot. Bonds4

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

[1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 23090599) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID23090599
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCN(C)CC3)cc2-c2ccc(C)cc2)cn1
InChIInChI=1S/C22H25N5O2/c1-16-4-6-17(7-5-16)20-14-19(22(28)26-12-10-25(2)11-13-26)24-27(20)18-8-9-21(29-3)23-15-18/h4-9,14-15H,10-13H2,1-3H3
InChIKeyVIERCQHRWCBFGQ-UHFFFAOYSA-N
XLogP2.64
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 10023598
[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
[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 10406457
[1-(6-methoxy-3-pyridinyl)-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 11675293
[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
[5-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 23110237
4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one
CID 23090602
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
[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 23110200

Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 23090599) is [1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone is COc1ccc(-n2nc(C(=O)N3CCN(C)CC3)cc2-c2ccc(C)cc2)cn1.
What is the InChIKey of [1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is VIERCQHRWCBFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-4-6-17(7-5-16)20-14-19(22(28)26-12-10-25(2)11-13-26)24-27(20)18-8-9-21(29-3)23-15-18/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of [1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
[1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 391.48 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 23090599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).