2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidine;ethane

C21H19ClF3N5 — CID 177004677

IUPAC2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidine;ethane
SMILESCC.Cn1cc(C(F)(F)F)nc1-c1ccc(Cc2nc(Cl)nc3ncccc23)cc1
InChIInChI=1S/C19H13ClF3N5.C2H6/c1-28-10-15(19(21,22)23)26-17(28)12-6-4-11(5-7-12)9-14-13-3-2-8-24-16(13)27-18(20)25-14;1-2/h2-8,10H,9H2,1H3;1-2H3
InChIKeyUMJGTQNGLGXZSN-UHFFFAOYSA-N
MW433.87 g/mol
LogP5.71
Rot. Bonds3

About 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidine;ethane

2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidine;ethane (PubChem CID 177004677) has the molecular formula C21H19ClF3N5 and a molecular weight of 433.87 g/mol. Its IUPAC name is 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidine;ethane.

Molecular Properties

Compound Name2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidine;ethane
PubChem CID177004677
Molecular FormulaC21H19ClF3N5
Molecular Weight433.87 g/mol
Exact Mass433.13
IUPAC Name2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidine;ethane
SMILESCC.Cn1cc(C(F)(F)F)nc1-c1ccc(Cc2nc(Cl)nc3ncccc23)cc1
InChIInChI=1S/C19H13ClF3N5.C2H6/c1-28-10-15(19(21,22)23)26-17(28)12-6-4-11(5-7-12)9-14-13-3-2-8-24-16(13)27-18(20)25-14;1-2/h2-8,10H,9H2,1H3;1-2H3
InChIKeyUMJGTQNGLGXZSN-UHFFFAOYSA-N
XLogP5.71
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.87
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidine;ethane?
The IUPAC name of 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidine;ethane (CID 177004677) is 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidine;ethane.
What is the SMILES notation for 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidine;ethane?
The canonical SMILES for 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidine;ethane is CC.Cn1cc(C(F)(F)F)nc1-c1ccc(Cc2nc(Cl)nc3ncccc23)cc1.
What is the InChIKey of 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidine;ethane?
The InChIKey is UMJGTQNGLGXZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N5.C2H6/c1-28-10-15(19(21,22)23)26-17(28)12-6-4-11(5-7-12)9-14-13-3-2-8-24-16(13)27-18(20)25-14;1-2/h2-8,10H,9H2,1H3;1-2H3.
What are the key properties of 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidine;ethane?
2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidine;ethane has a molecular weight of 433.87 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidine;ethane is sourced from PubChem (CID 177004677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).