7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone

C18H15N3OS — CID 72719472

IUPAC7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccs2)cc1)N1CCc2ncncc2C1
InChIInChI=1S/C18H15N3OS/c22-18(21-8-7-16-15(11-21)10-19-12-20-16)14-5-3-13(4-6-14)17-2-1-9-23-17/h1-6,9-10,12H,7-8,11H2
InChIKeyNUIZGZMXSCQPNA-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.40
Rot. Bonds2

About 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone

7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone (PubChem CID 72719472) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone.

Molecular Properties

Compound Name7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone
PubChem CID72719472
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccs2)cc1)N1CCc2ncncc2C1
InChIInChI=1S/C18H15N3OS/c22-18(21-8-7-16-15(11-21)10-19-12-20-16)14-5-3-13(4-6-14)17-2-1-9-23-17/h1-6,9-10,12H,7-8,11H2
InChIKeyNUIZGZMXSCQPNA-UHFFFAOYSA-N
XLogP3.40
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone
CID 90587201
(4-bromophenyl)-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 90621009
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-fluorophenyl)methanone
CID 90620866
6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-(4-thiophen-2-ylphenyl)methanone
CID 91625048
3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile
CID 72719384
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-[3-(tetrazol-1-yl)phenyl]methanone
CID 90621035
(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone
CID 53147080
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-5-phenylpentane-1,5-dione
CID 121145050
N-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-oxoethyl]benzamide
CID 90620998
methyl 4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)benzoate
CID 71805783
4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 71805819
(E)-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)but-2-en-1-one
CID 121145052

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone?
The IUPAC name of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone (CID 72719472) is 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone.
What is the SMILES notation for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone?
The canonical SMILES for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone is O=C(c1ccc(-c2cccs2)cc1)N1CCc2ncncc2C1.
What is the InChIKey of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone?
The InChIKey is NUIZGZMXSCQPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c22-18(21-8-7-16-15(11-21)10-19-12-20-16)14-5-3-13(4-6-14)17-2-1-9-23-17/h1-6,9-10,12H,7-8,11H2.
What are the key properties of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone?
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone has a molecular weight of 321.41 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone is sourced from PubChem (CID 72719472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).