[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(3-methylpiperazin-1-yl)methanone

C16H20ClN5O — CID 119578584

IUPAC[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(3-methylpiperazin-1-yl)methanone
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCNC(C)C3)n2)n1
InChIInChI=1S/C16H20ClN5O/c1-10-8-12(3)22(20-10)14-5-4-13(17)15(19-14)16(23)21-7-6-18-11(2)9-21/h4-5,8,11,18H,6-7,9H2,1-3H3
InChIKeyBRKGRCVQBJDPKL-UHFFFAOYSA-N
MW333.82 g/mol
LogP1.97
Rot. Bonds2

About [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(3-methylpiperazin-1-yl)methanone

[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(3-methylpiperazin-1-yl)methanone (PubChem CID 119578584) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(3-methylpiperazin-1-yl)methanone
PubChem CID119578584
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(3-methylpiperazin-1-yl)methanone
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCNC(C)C3)n2)n1
InChIInChI=1S/C16H20ClN5O/c1-10-8-12(3)22(20-10)14-5-4-13(17)15(19-14)16(23)21-7-6-18-11(2)9-21/h4-5,8,11,18H,6-7,9H2,1-3H3
InChIKeyBRKGRCVQBJDPKL-UHFFFAOYSA-N
XLogP1.97
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 78829736
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 55360910
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 78829190
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 78836013
2-[4-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]piperazin-1-yl]-2-phenylacetonitrile
CID 112800729
2-[4-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 78830133
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 55597417
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730175
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide
CID 2405934
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 139007404
(4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 114269672
(4-chloro-3-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 113397126

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(3-methylpiperazin-1-yl)methanone (CID 119578584) is [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(3-methylpiperazin-1-yl)methanone is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCNC(C)C3)n2)n1.
What is the InChIKey of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(3-methylpiperazin-1-yl)methanone?
The InChIKey is BRKGRCVQBJDPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-10-8-12(3)22(20-10)14-5-4-13(17)15(19-14)16(23)21-7-6-18-11(2)9-21/h4-5,8,11,18H,6-7,9H2,1-3H3.
What are the key properties of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(3-methylpiperazin-1-yl)methanone?
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(3-methylpiperazin-1-yl)methanone has a molecular weight of 333.82 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 119578584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).