4-ethyl-2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C24H23N7O — CID 10025442

IUPAC4-ethyl-2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCc1nc(C)nc2c1CCC(=O)N2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H23N7O/c1-3-21-20-12-13-22(32)31(24(20)26-15(2)25-21)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)23-27-29-30-28-23/h4-11H,3,12-14H2,1-2H3,(H,27,28,29,30)
InChIKeySPLZVIWJVWAWDZ-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.67
Rot. Bonds5

About 4-ethyl-2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

4-ethyl-2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 10025442) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 4-ethyl-2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID10025442
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name4-ethyl-2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCc1nc(C)nc2c1CCC(=O)N2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H23N7O/c1-3-21-20-12-13-22(32)31(24(20)26-15(2)25-21)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)23-27-29-30-28-23/h4-11H,3,12-14H2,1-2H3,(H,27,28,29,30)
InChIKeySPLZVIWJVWAWDZ-UHFFFAOYSA-N
XLogP3.67
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-ethyl-2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 10025442) is 4-ethyl-2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-ethyl-2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-ethyl-2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is CCc1nc(C)nc2c1CCC(=O)N2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 4-ethyl-2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SPLZVIWJVWAWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-3-21-20-12-13-22(32)31(24(20)26-15(2)25-21)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)23-27-29-30-28-23/h4-11H,3,12-14H2,1-2H3,(H,27,28,29,30).
What are the key properties of 4-ethyl-2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
4-ethyl-2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 425.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10025442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).