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

C18H14F3N5OS — CID 142341726

IUPAC(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone
SMILESCC1c2cnc(-c3ccccn3)nc2CCN1C(=O)c1ncc(C(F)(F)F)s1
InChIInChI=1S/C18H14F3N5OS/c1-10-11-8-23-15(13-4-2-3-6-22-13)25-12(11)5-7-26(10)17(27)16-24-9-14(28-16)18(19,20)21/h2-4,6,8-10H,5,7H2,1H3
InChIKeyFZXZESRPKZAPND-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.77
Rot. Bonds2

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

(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone (PubChem CID 142341726) has the molecular formula C18H14F3N5OS and a molecular weight of 405.41 g/mol. Its IUPAC name is (5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone.

Molecular Properties

Compound Name(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone
PubChem CID142341726
Molecular FormulaC18H14F3N5OS
Molecular Weight405.41 g/mol
Exact Mass405.09
IUPAC Name(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone
SMILESCC1c2cnc(-c3ccccn3)nc2CCN1C(=O)c1ncc(C(F)(F)F)s1
InChIInChI=1S/C18H14F3N5OS/c1-10-11-8-23-15(13-4-2-3-6-22-13)25-12(11)5-7-26(10)17(27)16-24-9-14(28-16)18(19,20)21/h2-4,6,8-10H,5,7H2,1H3
InChIKeyFZXZESRPKZAPND-UHFFFAOYSA-N
XLogP3.77
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(1H-pyrrol-2-yl)methanone
CID 163216146
(1-methylimidazol-2-yl)-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 139461201
(5R)-6-(3,4-difluoro-5-methoxyphenyl)-5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(5S)-6-(3,4-difluoro-5-methoxyphenyl)-5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 158354926
6-[6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 139367435
(4-methylphenyl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 145427216
5-methyl-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine
CID 130244154
(3-fluoro-4-methoxyphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 139461134
4-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;4-[4-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine
CID 158775920
2-methyl-N-[(5R)-2-pyridin-2-yl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-3-carboxamide
CID 95384879
2-methyl-N-[(5S)-2-pyridin-2-yl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-3-carboxamide
CID 95384880
2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 24903633
6-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-fluoro-2-pyridinyl]-5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 139381175

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone?
The IUPAC name of (5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone (CID 142341726) is (5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone.
What is the SMILES notation for (5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone?
The canonical SMILES for (5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone is CC1c2cnc(-c3ccccn3)nc2CCN1C(=O)c1ncc(C(F)(F)F)s1.
What is the InChIKey of (5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone?
The InChIKey is FZXZESRPKZAPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5OS/c1-10-11-8-23-15(13-4-2-3-6-22-13)25-12(11)5-7-26(10)17(27)16-24-9-14(28-16)18(19,20)21/h2-4,6,8-10H,5,7H2,1H3.
What are the key properties of (5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone?
(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone has a molecular weight of 405.41 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone is sourced from PubChem (CID 142341726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).