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

C20H10ClF6N5 — CID 22030287

IUPAC2-chloro-7-[2-(trifluoromethyl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2nc(Cl)nc3nc(-c4ccccc4C(F)(F)F)ccc23)cn1
InChIInChI=1S/C20H10ClF6N5/c21-18-31-16(29-10-5-8-15(28-9-10)20(25,26)27)12-6-7-14(30-17(12)32-18)11-3-1-2-4-13(11)19(22,23)24/h1-9H,(H,29,30,31,32)
InChIKeyRTWWVOJNPMPORQ-UHFFFAOYSA-N
MW469.78 g/mol
LogP6.52
Rot. Bonds3

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

2-chloro-7-[2-(trifluoromethyl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 22030287) has the molecular formula C20H10ClF6N5 and a molecular weight of 469.78 g/mol. Its IUPAC name is 2-chloro-7-[2-(trifluoromethyl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-7-[2-(trifluoromethyl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID22030287
Molecular FormulaC20H10ClF6N5
Molecular Weight469.78 g/mol
Exact Mass469.05
IUPAC Name2-chloro-7-[2-(trifluoromethyl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2nc(Cl)nc3nc(-c4ccccc4C(F)(F)F)ccc23)cn1
InChIInChI=1S/C20H10ClF6N5/c21-18-31-16(29-10-5-8-15(28-9-10)20(25,26)27)12-6-7-14(30-17(12)32-18)11-3-1-2-4-13(11)19(22,23)24/h1-9H,(H,29,30,31,32)
InChIKeyRTWWVOJNPMPORQ-UHFFFAOYSA-N
XLogP6.52
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.78
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[2-(trifluoromethyl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-7-[2-(trifluoromethyl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine (CID 22030287) is 2-chloro-7-[2-(trifluoromethyl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-7-[2-(trifluoromethyl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-7-[2-(trifluoromethyl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine is FC(F)(F)c1ccc(Nc2nc(Cl)nc3nc(-c4ccccc4C(F)(F)F)ccc23)cn1.
What is the InChIKey of 2-chloro-7-[2-(trifluoromethyl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is RTWWVOJNPMPORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10ClF6N5/c21-18-31-16(29-10-5-8-15(28-9-10)20(25,26)27)12-6-7-14(30-17(12)32-18)11-3-1-2-4-13(11)19(22,23)24/h1-9H,(H,29,30,31,32).
What are the key properties of 2-chloro-7-[2-(trifluoromethyl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
2-chloro-7-[2-(trifluoromethyl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 469.78 g/mol, XLogP of 6.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[2-(trifluoromethyl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 22030287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).