4-chloro-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidine

C15H10ClF3N4O — CID 59655754

IUPAC4-chloro-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidine
SMILESCOCc1nc(Cl)c2ccc(-c3ncccc3C(F)(F)F)nc2n1
InChIInChI=1S/C15H10ClF3N4O/c1-24-7-11-22-13(16)8-4-5-10(21-14(8)23-11)12-9(15(17,18)19)3-2-6-20-12/h2-6H,7H2,1H3
InChIKeyOQJXKBYOVXKCGD-UHFFFAOYSA-N
MW354.72 g/mol
LogP3.91
Rot. Bonds3

About 4-chloro-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidine

4-chloro-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidine (PubChem CID 59655754) has the molecular formula C15H10ClF3N4O and a molecular weight of 354.72 g/mol. Its IUPAC name is 4-chloro-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidine
PubChem CID59655754
Molecular FormulaC15H10ClF3N4O
Molecular Weight354.72 g/mol
Exact Mass354.05
IUPAC Name4-chloro-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidine
SMILESCOCc1nc(Cl)c2ccc(-c3ncccc3C(F)(F)F)nc2n1
InChIInChI=1S/C15H10ClF3N4O/c1-24-7-11-22-13(16)8-4-5-10(21-14(8)23-11)12-9(15(17,18)19)3-2-6-20-12/h2-6H,7H2,1H3
InChIKeyOQJXKBYOVXKCGD-UHFFFAOYSA-N
XLogP3.91
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidine 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 4-chloro-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidine (CID 59655754) is 4-chloro-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidine is COCc1nc(Cl)c2ccc(-c3ncccc3C(F)(F)F)nc2n1.
What is the InChIKey of 4-chloro-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidine?
The InChIKey is OQJXKBYOVXKCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O/c1-24-7-11-22-13(16)8-4-5-10(21-14(8)23-11)12-9(15(17,18)19)3-2-6-20-12/h2-6H,7H2,1H3.
What are the key properties of 4-chloro-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidine?
4-chloro-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidine has a molecular weight of 354.72 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 59655754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).