7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine

C23H19ClF3N5O2 — CID 10005778

IUPAC7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCOCCOCc1nc(Nc2ccc(C(F)(F)F)cc2)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C23H19ClF3N5O2/c1-33-11-12-34-13-19-31-21(29-15-6-4-14(5-7-15)23(25,26)27)16-8-9-18(30-22(16)32-19)20-17(24)3-2-10-28-20/h2-10H,11-13H2,1H3,(H,29,30,31,32)
InChIKeyVIJAKNKYFOKYSZ-UHFFFAOYSA-N
MW489.89 g/mol
LogP5.67
Rot. Bonds8

About 7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine

7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 10005778) has the molecular formula C23H19ClF3N5O2 and a molecular weight of 489.89 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID10005778
Molecular FormulaC23H19ClF3N5O2
Molecular Weight489.89 g/mol
Exact Mass489.12
IUPAC Name7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCOCCOCc1nc(Nc2ccc(C(F)(F)F)cc2)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C23H19ClF3N5O2/c1-33-11-12-34-13-19-31-21(29-15-6-4-14(5-7-15)23(25,26)27)16-8-9-18(30-22(16)32-19)20-17(24)3-2-10-28-20/h2-10H,11-13H2,1H3,(H,29,30,31,32)
InChIKeyVIJAKNKYFOKYSZ-UHFFFAOYSA-N
XLogP5.67
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.89
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 9983112
2-(methoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 10367774
2-(isopropoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030052
2-((2,6-dimethylmorpholino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030066
2-(isopropoxymethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 22030187
(4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyridin-2-yl)-pyrido[2,3-d]pyrimidin-4-yl]amine
CID 46202912
2-(methoxymethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 10322861
N-(3-chlorophenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine
CID 19689599
2-(3-morpholinopropyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030032
2-(methoxymethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030173
2-(morpholinomethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030340
2-(morpholinomethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030387

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine (CID 10005778) is 7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine is COCCOCc1nc(Nc2ccc(C(F)(F)F)cc2)c2ccc(-c3ncccc3Cl)nc2n1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is VIJAKNKYFOKYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N5O2/c1-33-11-12-34-13-19-31-21(29-15-6-4-14(5-7-15)23(25,26)27)16-8-9-18(30-22(16)32-19)20-17(24)3-2-10-28-20/h2-10H,11-13H2,1H3,(H,29,30,31,32).
What are the key properties of 7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 489.89 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10005778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).