6-chloro-3-(pyrimidin-5-ylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide

C15H11ClF3N7O — CID 165415259

IUPAC6-chloro-3-(pyrimidin-5-ylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(CC(F)(F)F)n1)c1nc(Cl)ccc1Nc1cncnc1
InChIInChI=1S/C15H11ClF3N7O/c16-11-2-1-10(22-9-5-20-8-21-6-9)13(23-11)14(27)24-12-3-4-26(25-12)7-15(17,18)19/h1-6,8,22H,7H2,(H,24,25,27)
InChIKeyOCOIAMYJJZUWKQ-UHFFFAOYSA-N
MW397.75 g/mol
LogP3.28
Rot. Bonds5

About 6-chloro-3-(pyrimidin-5-ylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide

6-chloro-3-(pyrimidin-5-ylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide (PubChem CID 165415259) has the molecular formula C15H11ClF3N7O and a molecular weight of 397.75 g/mol. Its IUPAC name is 6-chloro-3-(pyrimidin-5-ylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-(pyrimidin-5-ylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide
PubChem CID165415259
Molecular FormulaC15H11ClF3N7O
Molecular Weight397.75 g/mol
Exact Mass397.07
IUPAC Name6-chloro-3-(pyrimidin-5-ylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(CC(F)(F)F)n1)c1nc(Cl)ccc1Nc1cncnc1
InChIInChI=1S/C15H11ClF3N7O/c16-11-2-1-10(22-9-5-20-8-21-6-9)13(23-11)14(27)24-12-3-4-26(25-12)7-15(17,18)19/h1-6,8,22H,7H2,(H,24,25,27)
InChIKeyOCOIAMYJJZUWKQ-UHFFFAOYSA-N
XLogP3.28
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.75
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-chloro-3-(pyrimidin-5-ylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide 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 6-chloro-3-(pyrimidin-5-ylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-3-(pyrimidin-5-ylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide (CID 165415259) is 6-chloro-3-(pyrimidin-5-ylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-3-(pyrimidin-5-ylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-3-(pyrimidin-5-ylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide is O=C(Nc1ccn(CC(F)(F)F)n1)c1nc(Cl)ccc1Nc1cncnc1.
What is the InChIKey of 6-chloro-3-(pyrimidin-5-ylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide?
The InChIKey is OCOIAMYJJZUWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N7O/c16-11-2-1-10(22-9-5-20-8-21-6-9)13(23-11)14(27)24-12-3-4-26(25-12)7-15(17,18)19/h1-6,8,22H,7H2,(H,24,25,27).
What are the key properties of 6-chloro-3-(pyrimidin-5-ylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide?
6-chloro-3-(pyrimidin-5-ylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide has a molecular weight of 397.75 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(pyrimidin-5-ylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 165415259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).