[6-[1-(4-methoxyphenyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C21H23N5O2 — CID 3493764

IUPAC[6-[1-(4-methoxyphenyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-n2cc(-c3ccc(C(=O)N4CCN(C)CC4)cn3)cn2)cc1
InChIInChI=1S/C21H23N5O2/c1-24-9-11-25(12-10-24)21(27)16-3-8-20(22-13-16)17-14-23-26(15-17)18-4-6-19(28-2)7-5-18/h3-8,13-15H,9-12H2,1-2H3
InChIKeyNOHCQQKSHGCVFM-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.33
Rot. Bonds4

About [6-[1-(4-methoxyphenyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[6-[1-(4-methoxyphenyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 3493764) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is [6-[1-(4-methoxyphenyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-[1-(4-methoxyphenyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID3493764
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name[6-[1-(4-methoxyphenyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-n2cc(-c3ccc(C(=O)N4CCN(C)CC4)cn3)cn2)cc1
InChIInChI=1S/C21H23N5O2/c1-24-9-11-25(12-10-24)21(27)16-3-8-20(22-13-16)17-14-23-26(15-17)18-4-6-19(28-2)7-5-18/h3-8,13-15H,9-12H2,1-2H3
InChIKeyNOHCQQKSHGCVFM-UHFFFAOYSA-N
XLogP2.33
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]pyrazol-1-yl]benzonitrile
CID 3407693
[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 3602362
[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 55774534
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
6-[1-(4-methylphenyl)pyrazol-4-yl]pyridine-3-carboxylic acid
CID 4236852
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone
CID 95188150
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 31112745
[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 6473283
[5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230077
[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 70768505
[2-(azepan-1-yl)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109264955
[1-ethyl-4-(4-methoxyphenyl)pyrrol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 53147777

Frequently Asked Questions

What is the IUPAC name of [6-[1-(4-methoxyphenyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-[1-(4-methoxyphenyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 3493764) is [6-[1-(4-methoxyphenyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-[1-(4-methoxyphenyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-[1-(4-methoxyphenyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is COc1ccc(-n2cc(-c3ccc(C(=O)N4CCN(C)CC4)cn3)cn2)cc1.
What is the InChIKey of [6-[1-(4-methoxyphenyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is NOHCQQKSHGCVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-24-9-11-25(12-10-24)21(27)16-3-8-20(22-13-16)17-14-23-26(15-17)18-4-6-19(28-2)7-5-18/h3-8,13-15H,9-12H2,1-2H3.
What are the key properties of [6-[1-(4-methoxyphenyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[6-[1-(4-methoxyphenyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 377.45 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-(4-methoxyphenyl)pyrazol-4-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 3493764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).