[2-chloro-3-(trifluoromethyl)phenyl]-[2-methyl-4-(1,3-thiazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

C19H14ClF3N4OS — CID 86282223

IUPAC[2-chloro-3-(trifluoromethyl)phenyl]-[2-methyl-4-(1,3-thiazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCc1nc2c(c(-c3cscn3)n1)CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2
InChIInChI=1S/C19H14ClF3N4OS/c1-10-25-14-7-27(6-5-11(14)17(26-10)15-8-29-9-24-15)18(28)12-3-2-4-13(16(12)20)19(21,22)23/h2-4,8-9H,5-7H2,1H3
InChIKeyBDYDASKAUVLPBS-UHFFFAOYSA-N
MW438.86 g/mol
LogP4.78
Rot. Bonds2

About [2-chloro-3-(trifluoromethyl)phenyl]-[2-methyl-4-(1,3-thiazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

[2-chloro-3-(trifluoromethyl)phenyl]-[2-methyl-4-(1,3-thiazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 86282223) has the molecular formula C19H14ClF3N4OS and a molecular weight of 438.86 g/mol. Its IUPAC name is [2-chloro-3-(trifluoromethyl)phenyl]-[2-methyl-4-(1,3-thiazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Name[2-chloro-3-(trifluoromethyl)phenyl]-[2-methyl-4-(1,3-thiazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID86282223
Molecular FormulaC19H14ClF3N4OS
Molecular Weight438.86 g/mol
Exact Mass438.05
IUPAC Name[2-chloro-3-(trifluoromethyl)phenyl]-[2-methyl-4-(1,3-thiazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCc1nc2c(c(-c3cscn3)n1)CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2
InChIInChI=1S/C19H14ClF3N4OS/c1-10-25-14-7-27(6-5-11(14)17(26-10)15-8-29-9-24-15)18(28)12-3-2-4-13(16(12)20)19(21,22)23/h2-4,8-9H,5-7H2,1H3
InChIKeyBDYDASKAUVLPBS-UHFFFAOYSA-N
XLogP4.78
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.86
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-chloro-3-(trifluoromethyl)phenyl]-[2-methyl-4-(1,3-thiazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-[2-methyl-4-(1,3-thiazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-[2-methyl-4-(1,3-thiazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 86282223) is [2-chloro-3-(trifluoromethyl)phenyl]-[2-methyl-4-(1,3-thiazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for [2-chloro-3-(trifluoromethyl)phenyl]-[2-methyl-4-(1,3-thiazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for [2-chloro-3-(trifluoromethyl)phenyl]-[2-methyl-4-(1,3-thiazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is Cc1nc2c(c(-c3cscn3)n1)CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2.
What is the InChIKey of [2-chloro-3-(trifluoromethyl)phenyl]-[2-methyl-4-(1,3-thiazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is BDYDASKAUVLPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4OS/c1-10-25-14-7-27(6-5-11(14)17(26-10)15-8-29-9-24-15)18(28)12-3-2-4-13(16(12)20)19(21,22)23/h2-4,8-9H,5-7H2,1H3.
What are the key properties of [2-chloro-3-(trifluoromethyl)phenyl]-[2-methyl-4-(1,3-thiazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
[2-chloro-3-(trifluoromethyl)phenyl]-[2-methyl-4-(1,3-thiazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 438.86 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(trifluoromethyl)phenyl]-[2-methyl-4-(1,3-thiazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 86282223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).