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

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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).