N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine

C27H28F3N5O2 — CID 11720416

IUPACN-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(CCNc2nc(COCC(C)C)nc3nc(-c4ncccc4C(F)(F)F)ccc23)c1
InChIInChI=1S/C27H28F3N5O2/c1-17(2)15-37-16-23-34-25(32-13-11-18-6-4-7-19(14-18)36-3)20-9-10-22(33-26(20)35-23)24-21(27(28,29)30)8-5-12-31-24/h4-10,12,14,17H,11,13,15-16H2,1-3H3,(H,32,33,34,35)
InChIKeyVSFDFHJJDQSZON-UHFFFAOYSA-N
MW511.55 g/mol
LogP5.94
Rot. Bonds10

About N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine

N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11720416) has the molecular formula C27H28F3N5O2 and a molecular weight of 511.55 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID11720416
Molecular FormulaC27H28F3N5O2
Molecular Weight511.55 g/mol
Exact Mass511.22
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(CCNc2nc(COCC(C)C)nc3nc(-c4ncccc4C(F)(F)F)ccc23)c1
InChIInChI=1S/C27H28F3N5O2/c1-17(2)15-37-16-23-34-25(32-13-11-18-6-4-7-19(14-18)36-3)20-9-10-22(33-26(20)35-23)24-21(27(28,29)30)8-5-12-31-24/h4-10,12,14,17H,11,13,15-16H2,1-3H3,(H,32,33,34,35)
InChIKeyVSFDFHJJDQSZON-UHFFFAOYSA-N
XLogP5.94
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.55
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine 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 N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine (CID 11720416) is N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine is COc1cccc(CCNc2nc(COCC(C)C)nc3nc(-c4ncccc4C(F)(F)F)ccc23)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is VSFDFHJJDQSZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N5O2/c1-17(2)15-37-16-23-34-25(32-13-11-18-6-4-7-19(14-18)36-3)20-9-10-22(33-26(20)35-23)24-21(27(28,29)30)8-5-12-31-24/h4-10,12,14,17H,11,13,15-16H2,1-3H3,(H,32,33,34,35).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 511.55 g/mol, XLogP of 5.94, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11720416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).