7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine

C24H21ClF3N5O — CID 11202597

IUPAC7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCCOCc1nc(Nc2ccc(C(C)C(F)(F)F)cc2)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C24H21ClF3N5O/c1-3-34-13-20-32-22(30-16-8-6-15(7-9-16)14(2)24(26,27)28)17-10-11-19(31-23(17)33-20)21-18(25)5-4-12-29-21/h4-12,14H,3,13H2,1-2H3,(H,30,31,32,33)
InChIKeyWKGXOTLXTYVVQB-UHFFFAOYSA-N
MW487.91 g/mol
LogP6.69
Rot. Bonds7

About 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine

7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11202597) has the molecular formula C24H21ClF3N5O and a molecular weight of 487.91 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID11202597
Molecular FormulaC24H21ClF3N5O
Molecular Weight487.91 g/mol
Exact Mass487.14
IUPAC Name7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCCOCc1nc(Nc2ccc(C(C)C(F)(F)F)cc2)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C24H21ClF3N5O/c1-3-34-13-20-32-22(30-16-8-6-15(7-9-16)14(2)24(26,27)28)17-10-11-19(31-23(17)33-20)21-18(25)5-4-12-29-21/h4-12,14H,3,13H2,1-2H3,(H,30,31,32,33)
InChIKeyWKGXOTLXTYVVQB-UHFFFAOYSA-N
XLogP6.69
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.91
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]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 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine (CID 11202597) is 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine is CCOCc1nc(Nc2ccc(C(C)C(F)(F)F)cc2)c2ccc(-c3ncccc3Cl)nc2n1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is WKGXOTLXTYVVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N5O/c1-3-34-13-20-32-22(30-16-8-6-15(7-9-16)14(2)24(26,27)28)17-10-11-19(31-23(17)33-20)21-18(25)5-4-12-29-21/h4-12,14H,3,13H2,1-2H3,(H,30,31,32,33).
What are the key properties of 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 487.91 g/mol, XLogP of 6.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11202597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).