(2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone

C15H17ClN4O — CID 154803735

IUPAC(2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
SMILESCn1cc(C2CCCCN2C(=O)c2ccnc(Cl)c2)cn1
InChIInChI=1S/C15H17ClN4O/c1-19-10-12(9-18-19)13-4-2-3-7-20(13)15(21)11-5-6-17-14(16)8-11/h5-6,8-10,13H,2-4,7H2,1H3
InChIKeyVZMZIAYBDUWXBN-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.84
Rot. Bonds2

About (2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone

(2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone (PubChem CID 154803735) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
PubChem CID154803735
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name(2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
SMILESCn1cc(C2CCCCN2C(=O)c2ccnc(Cl)c2)cn1
InChIInChI=1S/C15H17ClN4O/c1-19-10-12(9-18-19)13-4-2-3-7-20(13)15(21)11-5-6-17-14(16)8-11/h5-6,8-10,13H,2-4,7H2,1H3
InChIKeyVZMZIAYBDUWXBN-UHFFFAOYSA-N
XLogP2.84
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone
CID 95329682
1H-indol-6-yl-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95340715
cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95569597
6-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 154807208
(2-chloro-4-pyridinyl)-[2-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]methanone
CID 50980578
[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 126855023
[2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 42953217
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 56801188
(5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824993
(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974569
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 99816463

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone (CID 154803735) is (2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone is Cn1cc(C2CCCCN2C(=O)c2ccnc(Cl)c2)cn1.
What is the InChIKey of (2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is VZMZIAYBDUWXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-19-10-12(9-18-19)13-4-2-3-7-20(13)15(21)11-5-6-17-14(16)8-11/h5-6,8-10,13H,2-4,7H2,1H3.
What are the key properties of (2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
(2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 304.78 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 154803735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).