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

C22H20N8O — CID 10386973

IUPAC2,4-dimethyl-8-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[nH]n3)nc1)C(=O)CC2
InChIInChI=1S/C22H20N8O/c1-13-16-8-10-20(31)30(22(16)25-14(2)24-13)12-15-7-9-19(23-11-15)17-5-3-4-6-18(17)21-26-28-29-27-21/h3-7,9,11H,8,10,12H2,1-2H3,(H,26,27,28,29)
InChIKeyXSHXQLODFJYKON-UHFFFAOYSA-N
MW412.46 g/mol
LogP2.81
Rot. Bonds4

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

2,4-dimethyl-8-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 10386973) has the molecular formula C22H20N8O and a molecular weight of 412.46 g/mol. Its IUPAC name is 2,4-dimethyl-8-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2,4-dimethyl-8-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID10386973
Molecular FormulaC22H20N8O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name2,4-dimethyl-8-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[nH]n3)nc1)C(=O)CC2
InChIInChI=1S/C22H20N8O/c1-13-16-8-10-20(31)30(22(16)25-14(2)24-13)12-15-7-9-19(23-11-15)17-5-3-4-6-18(17)21-26-28-29-27-21/h3-7,9,11H,8,10,12H2,1-2H3,(H,26,27,28,29)
InChIKeyXSHXQLODFJYKON-UHFFFAOYSA-N
XLogP2.81
TPSA113.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-8-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2,4-dimethyl-8-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 10386973) is 2,4-dimethyl-8-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2,4-dimethyl-8-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2,4-dimethyl-8-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[nH]n3)nc1)C(=O)CC2.
What is the InChIKey of 2,4-dimethyl-8-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XSHXQLODFJYKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O/c1-13-16-8-10-20(31)30(22(16)25-14(2)24-13)12-15-7-9-19(23-11-15)17-5-3-4-6-18(17)21-26-28-29-27-21/h3-7,9,11H,8,10,12H2,1-2H3,(H,26,27,28,29).
What are the key properties of 2,4-dimethyl-8-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2,4-dimethyl-8-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 412.46 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-8-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10386973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).