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

C22H20N8O — CID 10001705

IUPAC2,4-dimethyl-8-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[nH]n3)cn1)C(=O)CC2
InChIInChI=1S/C22H20N8O/c1-13-17-9-10-20(31)30(22(17)25-14(2)24-13)12-16-8-7-15(11-23-16)18-5-3-4-6-19(18)21-26-28-29-27-21/h3-8,11H,9-10,12H2,1-2H3,(H,26,27,28,29)
InChIKeyHPKMJTIQUSGVRH-UHFFFAOYSA-N
MW412.46 g/mol
LogP2.81
Rot. Bonds4

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

2,4-dimethyl-8-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 10001705) has the molecular formula C22H20N8O and a molecular weight of 412.46 g/mol. Its IUPAC name is 2,4-dimethyl-8-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2,4-dimethyl-8-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID10001705
Molecular FormulaC22H20N8O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name2,4-dimethyl-8-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[nH]n3)cn1)C(=O)CC2
InChIInChI=1S/C22H20N8O/c1-13-17-9-10-20(31)30(22(17)25-14(2)24-13)12-16-8-7-15(11-23-16)18-5-3-4-6-19(18)21-26-28-29-27-21/h3-8,11H,9-10,12H2,1-2H3,(H,26,27,28,29)
InChIKeyHPKMJTIQUSGVRH-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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Related Compounds

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CID 60919
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CID 3242799
2-Methyl-4-(trifluoromethyl)-5,8-dihydro-8-[[6-[2-(1H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7(6H)-one
CID 9981978
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
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
2-ethyl-4-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 10048049
2-Hydroxymethyl-4-methyl-8-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-5,8dihydro-6H-pyrido[2,3-d]pyrimidin-7-one
CID 10048156
2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 10253921
2,4,6,6-tetramethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one
CID 10320969
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
1-(4-(6-phenyl-7-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)pyrido[2,3-d]pyrimidin-2-yl)piperazin-1-yl)ethanone
CID 11650399
1-[4-[benzyl(methyl)amino]-2-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-one
CID 50942847

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-8-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2,4-dimethyl-8-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 10001705) is 2,4-dimethyl-8-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2,4-dimethyl-8-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2,4-dimethyl-8-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[nH]n3)cn1)C(=O)CC2.
What is the InChIKey of 2,4-dimethyl-8-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HPKMJTIQUSGVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O/c1-13-17-9-10-20(31)30(22(17)25-14(2)24-13)12-16-8-7-15(11-23-16)18-5-3-4-6-19(18)21-26-28-29-27-21/h3-8,11H,9-10,12H2,1-2H3,(H,26,27,28,29).
What are the key properties of 2,4-dimethyl-8-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2,4-dimethyl-8-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-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-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10001705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).