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

C19H23N7O2 — CID 11538172

IUPAC[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCN(C)CC3)cc2-c2cnn(C)c2)cn1
InChIInChI=1S/C19H23N7O2/c1-23-6-8-25(9-7-23)19(27)16-10-17(14-11-21-24(2)13-14)26(22-16)15-4-5-18(28-3)20-12-15/h4-5,10-13H,6-9H2,1-3H3
InChIKeyHEFPLUMFUGKEAO-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.06
Rot. Bonds4

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

[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 11538172) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is [1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID11538172
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCN(C)CC3)cc2-c2cnn(C)c2)cn1
InChIInChI=1S/C19H23N7O2/c1-23-6-8-25(9-7-23)19(27)16-10-17(14-11-21-24(2)13-14)26(22-16)15-4-5-18(28-3)20-12-15/h4-5,10-13H,6-9H2,1-3H3
InChIKeyHEFPLUMFUGKEAO-UHFFFAOYSA-N
XLogP1.06
TPSA81.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 11660663
[1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 23090599
[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 10023598
[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-phenylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 23090210
[1-(6-methoxy-3-pyridinyl)-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 11675293
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
[5-(5-aminopyrazin-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 59003665
N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(piperidine-1-carbonyl)pyrazol-5-yl]phenyl]methyl]ethanesulfonamide
CID 154455929
4-[1-(6-methoxy-3-pyridinyl)-5-(4-methyl-2-pyridinyl)pyrazole-3-carbonyl]-1-methylpiperazin-2-one
CID 23090602

Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 11538172) is [1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone is COc1ccc(-n2nc(C(=O)N3CCN(C)CC3)cc2-c2cnn(C)c2)cn1.
What is the InChIKey of [1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is HEFPLUMFUGKEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-23-6-8-25(9-7-23)19(27)16-10-17(14-11-21-24(2)13-14)26(22-16)15-4-5-18(28-3)20-12-15/h4-5,10-13H,6-9H2,1-3H3.
What are the key properties of [1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 381.44 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 11538172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).