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

C24H23N7O — CID 10002529

IUPAC2,4,6-trimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)C(C)C2
InChIInChI=1S/C24H23N7O/c1-14-12-21-15(2)25-16(3)26-23(21)31(24(14)32)13-17-8-10-18(11-9-17)19-6-4-5-7-20(19)22-27-29-30-28-22/h4-11,14H,12-13H2,1-3H3,(H,27,28,29,30)
InChIKeyQIHRCLRHOQGSMR-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.67
Rot. Bonds4

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

2,4,6-trimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 10002529) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 2,4,6-trimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2,4,6-trimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID10002529
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name2,4,6-trimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)C(C)C2
InChIInChI=1S/C24H23N7O/c1-14-12-21-15(2)25-16(3)26-23(21)31(24(14)32)13-17-8-10-18(11-9-17)19-6-4-5-7-20(19)22-27-29-30-28-22/h4-11,14H,12-13H2,1-3H3,(H,27,28,29,30)
InChIKeyQIHRCLRHOQGSMR-UHFFFAOYSA-N
XLogP3.67
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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 2,4,6-trimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2,4,6-trimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 10002529) is 2,4,6-trimethyl-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 2,4,6-trimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2,4,6-trimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)C(C)C2.
What is the InChIKey of 2,4,6-trimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QIHRCLRHOQGSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-14-12-21-15(2)25-16(3)26-23(21)31(24(14)32)13-17-8-10-18(11-9-17)19-6-4-5-7-20(19)22-27-29-30-28-22/h4-11,14H,12-13H2,1-3H3,(H,27,28,29,30).
What are the key properties of 2,4,6-trimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2,4,6-trimethyl-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, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10002529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).