[5-(5-chloro-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]-[3-(dimethylamino)azetidin-1-yl]methanone

C19H19ClN6O — CID 59684382

IUPAC[5-(5-chloro-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]-[3-(dimethylamino)azetidin-1-yl]methanone
SMILESCN(C)C1CN(C(=O)c2cc(-c3ccc(Cl)cn3)n(-c3cccnc3)n2)C1
InChIInChI=1S/C19H19ClN6O/c1-24(2)15-11-25(12-15)19(27)17-8-18(16-6-5-13(20)9-22-16)26(23-17)14-4-3-7-21-10-14/h3-10,15H,11-12H2,1-2H3
InChIKeyTZKOFJWTDCPWEI-UHFFFAOYSA-N
MW382.86 g/mol
LogP2.37
Rot. Bonds4

About [5-(5-chloro-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]-[3-(dimethylamino)azetidin-1-yl]methanone

[5-(5-chloro-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]-[3-(dimethylamino)azetidin-1-yl]methanone (PubChem CID 59684382) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is [5-(5-chloro-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]-[3-(dimethylamino)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(5-chloro-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]-[3-(dimethylamino)azetidin-1-yl]methanone
PubChem CID59684382
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC Name[5-(5-chloro-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]-[3-(dimethylamino)azetidin-1-yl]methanone
SMILESCN(C)C1CN(C(=O)c2cc(-c3ccc(Cl)cn3)n(-c3cccnc3)n2)C1
InChIInChI=1S/C19H19ClN6O/c1-24(2)15-11-25(12-15)19(27)17-8-18(16-6-5-13(20)9-22-16)26(23-17)14-4-3-7-21-10-14/h3-10,15H,11-12H2,1-2H3
InChIKeyTZKOFJWTDCPWEI-UHFFFAOYSA-N
XLogP2.37
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(5-chloro-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]-[3-(dimethylamino)azetidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(5-chloro-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]-[3-(dimethylamino)azetidin-1-yl]methanone?
The IUPAC name of [5-(5-chloro-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]-[3-(dimethylamino)azetidin-1-yl]methanone (CID 59684382) is [5-(5-chloro-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]-[3-(dimethylamino)azetidin-1-yl]methanone.
What is the SMILES notation for [5-(5-chloro-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]-[3-(dimethylamino)azetidin-1-yl]methanone?
The canonical SMILES for [5-(5-chloro-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]-[3-(dimethylamino)azetidin-1-yl]methanone is CN(C)C1CN(C(=O)c2cc(-c3ccc(Cl)cn3)n(-c3cccnc3)n2)C1.
What is the InChIKey of [5-(5-chloro-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]-[3-(dimethylamino)azetidin-1-yl]methanone?
The InChIKey is TZKOFJWTDCPWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O/c1-24(2)15-11-25(12-15)19(27)17-8-18(16-6-5-13(20)9-22-16)26(23-17)14-4-3-7-21-10-14/h3-10,15H,11-12H2,1-2H3.
What are the key properties of [5-(5-chloro-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]-[3-(dimethylamino)azetidin-1-yl]methanone?
[5-(5-chloro-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]-[3-(dimethylamino)azetidin-1-yl]methanone has a molecular weight of 382.86 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-chloro-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]-[3-(dimethylamino)azetidin-1-yl]methanone is sourced from PubChem (CID 59684382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).