7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine

C21H16ClF3N6O — CID 10027296

IUPAC7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCCOCc1nc(Nc2ccc(C(F)(F)F)nc2)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C21H16ClF3N6O/c1-2-32-11-17-30-19(28-12-5-8-16(27-10-12)21(23,24)25)13-6-7-15(29-20(13)31-17)18-14(22)4-3-9-26-18/h3-10H,2,11H2,1H3,(H,28,29,30,31)
InChIKeyFDFYPVRUTBIOPW-UHFFFAOYSA-N
MW460.85 g/mol
LogP5.43
Rot. Bonds6

About 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine

7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 10027296) has the molecular formula C21H16ClF3N6O and a molecular weight of 460.85 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID10027296
Molecular FormulaC21H16ClF3N6O
Molecular Weight460.85 g/mol
Exact Mass460.10
IUPAC Name7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCCOCc1nc(Nc2ccc(C(F)(F)F)nc2)c2ccc(-c3ncccc3Cl)nc2n1
InChIInChI=1S/C21H16ClF3N6O/c1-2-32-11-17-30-19(28-12-5-8-16(27-10-12)21(23,24)25)13-6-7-15(29-20(13)31-17)18-14(22)4-3-9-26-18/h3-10H,2,11H2,1H3,(H,28,29,30,31)
InChIKeyFDFYPVRUTBIOPW-UHFFFAOYSA-N
XLogP5.43
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.85
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

SD-208
CID 10316032
N-(2-chloro-6-methylphenyl)-12-morpholin-4-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 9908658
2-(isopropoxymethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 22030187
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 44587857
4-(3-Chloro-4-fluoro-phenylamino)-6-(2-morpholin-4-yl-ethylamino)-1,7-naphthyridine-3-carbonitrile
CID 44143344
2-N-(2,4-difluorophenyl)-6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145971580
2-(methoxymethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 10322861
2-(morpholinomethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 22030144
2-(methoxymethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030173
2-(morpholinomethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030387
2-(ethoxymethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 23537081
N-(6-(2-aminopyrimidin-5-yl)-2-morpholinopyrimidin-4-yl)quinolin-3-amine
CID 23630332

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine (CID 10027296) is 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine is CCOCc1nc(Nc2ccc(C(F)(F)F)nc2)c2ccc(-c3ncccc3Cl)nc2n1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is FDFYPVRUTBIOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N6O/c1-2-32-11-17-30-19(28-12-5-8-16(27-10-12)21(23,24)25)13-6-7-15(29-20(13)31-17)18-14(22)4-3-9-26-18/h3-10H,2,11H2,1H3,(H,28,29,30,31).
What are the key properties of 7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 460.85 g/mol, XLogP of 5.43, 6 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-(ethoxymethyl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10027296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).