[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

C20H22Cl2N6O — CID 120730175

IUPAC[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCNCC3c3cccnc3)n2)n1.Cl
InChIInChI=1S/C20H21ClN6O.ClH/c1-13-10-14(2)27(25-13)18-6-5-16(21)19(24-18)20(28)26-9-8-23-12-17(26)15-4-3-7-22-11-15;/h3-7,10-11,17,23H,8-9,12H2,1-2H3;1H
InChIKeyBTQULAMRPNFAKC-UHFFFAOYSA-N
MW433.34 g/mol
LogP3.14
Rot. Bonds3

About [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120730175) has the molecular formula C20H22Cl2N6O and a molecular weight of 433.34 g/mol. Its IUPAC name is [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120730175
Molecular FormulaC20H22Cl2N6O
Molecular Weight433.34 g/mol
Exact Mass432.12
IUPAC Name[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCNCC3c3cccnc3)n2)n1.Cl
InChIInChI=1S/C20H21ClN6O.ClH/c1-13-10-14(2)27(25-13)18-6-5-16(21)19(24-18)20(28)26-9-8-23-12-17(26)15-4-3-7-22-11-15;/h3-7,10-11,17,23H,8-9,12H2,1-2H3;1H
InChIKeyBTQULAMRPNFAKC-UHFFFAOYSA-N
XLogP3.14
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3,5-dimethylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731736
(5-chloropyrimidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729438
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731955
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728919
[2-(3-chlorophenyl)piperazin-1-yl]-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methanone
CID 120803399
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732206
(1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732429
(3-chloro-5-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731063
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
2-(3,4-dichlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732560

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (CID 120730175) is [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCNCC3c3cccnc3)n2)n1.Cl.
What is the InChIKey of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is BTQULAMRPNFAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O.ClH/c1-13-10-14(2)27(25-13)18-6-5-16(21)19(24-18)20(28)26-9-8-23-12-17(26)15-4-3-7-22-11-15;/h3-7,10-11,17,23H,8-9,12H2,1-2H3;1H.
What are the key properties of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 433.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120730175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).