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

C23H18F3N7O — CID 10253921

IUPAC2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc2c(c(C(F)(F)F)n1)CCC(=O)N2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H18F3N7O/c1-13-27-20(23(24,25)26)18-10-11-19(34)33(22(18)28-13)12-14-6-8-15(9-7-14)16-4-2-3-5-17(16)21-29-31-32-30-21/h2-9H,10-12H2,1H3,(H,29,30,31,32)
InChIKeyUMGWNXVFPXRTJJ-UHFFFAOYSA-N
MW465.44 g/mol
LogP4.13
Rot. Bonds4

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

2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 10253921) has the molecular formula C23H18F3N7O and a molecular weight of 465.44 g/mol. Its IUPAC name is 2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID10253921
Molecular FormulaC23H18F3N7O
Molecular Weight465.44 g/mol
Exact Mass465.15
IUPAC Name2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc2c(c(C(F)(F)F)n1)CCC(=O)N2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H18F3N7O/c1-13-27-20(23(24,25)26)18-10-11-19(34)33(22(18)28-13)12-14-6-8-15(9-7-14)16-4-2-3-5-17(16)21-29-31-32-30-21/h2-9H,10-12H2,1H3,(H,29,30,31,32)
InChIKeyUMGWNXVFPXRTJJ-UHFFFAOYSA-N
XLogP4.13
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Tasosartan
CID 60919
ZD-7155
CID 4673492
5-hydroxy-2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 10741138
ZD 7155 hydrochloride
CID 9826191
2-methyl-7-oxo-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidine-4-carbaldehyde
CID 9823720
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-dimethyl-8-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 10001705
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
2,4,6,6-tetramethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one
CID 10320969

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 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) is 2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc2c(c(C(F)(F)F)n1)CCC(=O)N2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UMGWNXVFPXRTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N7O/c1-13-27-20(23(24,25)26)18-10-11-19(34)33(22(18)28-13)12-14-6-8-15(9-7-14)16-4-2-3-5-17(16)21-29-31-32-30-21/h2-9H,10-12H2,1H3,(H,29,30,31,32).
What are the key properties of 2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 465.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10253921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).