6-(4-fluoro-3-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C19H17FN4O — CID 121455946

IUPAC6-(4-fluoro-3-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(N2CCc3nc(-c4ccccn4)ncc3C2)ccc1F
InChIInChI=1S/C19H17FN4O/c1-25-18-10-14(5-6-15(18)20)24-9-7-16-13(12-24)11-22-19(23-16)17-4-2-3-8-21-17/h2-6,8,10-11H,7,9,12H2,1H3
InChIKeyJJAVPKVVFKBZEV-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.25
Rot. Bonds3

About 6-(4-fluoro-3-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(4-fluoro-3-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121455946) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 6-(4-fluoro-3-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(4-fluoro-3-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121455946
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name6-(4-fluoro-3-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1cc(N2CCc3nc(-c4ccccn4)ncc3C2)ccc1F
InChIInChI=1S/C19H17FN4O/c1-25-18-10-14(5-6-15(18)20)24-9-7-16-13(12-24)11-22-19(23-16)17-4-2-3-8-21-17/h2-6,8,10-11H,7,9,12H2,1H3
InChIKeyJJAVPKVVFKBZEV-UHFFFAOYSA-N
XLogP3.25
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-fluoro-3-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

7-Methoxyquinazoline
CID 12213273
CP-293019
CID 9820261
8-Fluoro-6-Methoxy-3,4-Dimethyl-1-(3-Methylpyridin-4-Yl)imidazo[1,5-A]quinoxaline
CID 42630191
4-N-(3-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328061
2,4-Disubstituted Pyrimidine 2f
CID 5329419
7-(3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 23646630
4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
N~6~-(3,4-Dimethoxyphenyl)-2-(Morpholin-4-Yl)-4,5'-Bipyrimidine-2',6-Diamine
CID 59507470
6-[(5-Methoxy-2-methyl-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 457336
2-[(2R)-4-(3-methoxyphenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005988
8-Fluoro-6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
CID 42630192
Pyrimidine, 2-(4-(m-methoxyphenyl)-1-piperazinyl)-
CID 198996

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(4-fluoro-3-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121455946) is 6-(4-fluoro-3-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(4-fluoro-3-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(4-fluoro-3-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1cc(N2CCc3nc(-c4ccccn4)ncc3C2)ccc1F.
What is the InChIKey of 6-(4-fluoro-3-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is JJAVPKVVFKBZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-25-18-10-14(5-6-15(18)20)24-9-7-16-13(12-24)11-22-19(23-16)17-4-2-3-8-21-17/h2-6,8,10-11H,7,9,12H2,1H3.
What are the key properties of 6-(4-fluoro-3-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(4-fluoro-3-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 336.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121455946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).