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

C20H20N4O — CID 24930307

IUPAC7-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCOc1ccc(CN2CCc3cnc(-c4cccnc4)nc3C2)cc1
InChIInChI=1S/C20H20N4O/c1-25-18-6-4-15(5-7-18)13-24-10-8-16-12-22-20(23-19(16)14-24)17-3-2-9-21-11-17/h2-7,9,11-12H,8,10,13-14H2,1H3
InChIKeySVWAQBRGENOIIK-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.11
Rot. Bonds4

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

7-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24930307) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24930307
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name7-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCOc1ccc(CN2CCc3cnc(-c4cccnc4)nc3C2)cc1
InChIInChI=1S/C20H20N4O/c1-25-18-6-4-15(5-7-18)13-24-10-8-16-12-22-20(23-19(16)14-24)17-3-2-9-21-11-17/h2-7,9,11-12H,8,10,13-14H2,1H3
InChIKeySVWAQBRGENOIIK-UHFFFAOYSA-N
XLogP3.11
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(4-methylphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930328
7-[(4-methoxyphenyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930303
2-(4-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930296
7-[(2-methylphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930286
2-pyridin-4-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931692
2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930292
6-[(1-benzylpyrazol-4-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912212
2-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931676
6-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914228
7-[(6-bromo-1H-indol-3-yl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931189
6-[(3,5-dibromo-4-pyridinyl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915740
7-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931605

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24930307) is 7-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is COc1ccc(CN2CCc3cnc(-c4cccnc4)nc3C2)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is SVWAQBRGENOIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-25-18-6-4-15(5-7-18)13-24-10-8-16-12-22-20(23-19(16)14-24)17-3-2-9-21-11-17/h2-7,9,11-12H,8,10,13-14H2,1H3.
What are the key properties of 7-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 332.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24930307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).