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

C25H25N7O — CID 10320969

IUPAC2,4,6,6-tetramethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)C(C)(C)C2
InChIInChI=1S/C25H25N7O/c1-15-21-13-25(3,4)24(33)32(23(21)27-16(2)26-15)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)22-28-30-31-29-22/h5-12H,13-14H2,1-4H3,(H,28,29,30,31)
InChIKeyZCBZIEODXPGTIF-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.06
Rot. Bonds4

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

2,4,6,6-tetramethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 10320969) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 2,4,6,6-tetramethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2,4,6,6-tetramethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID10320969
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name2,4,6,6-tetramethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)C(C)(C)C2
InChIInChI=1S/C25H25N7O/c1-15-21-13-25(3,4)24(33)32(23(21)27-16(2)26-15)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)22-28-30-31-29-22/h5-12H,13-14H2,1-4H3,(H,28,29,30,31)
InChIKeyZCBZIEODXPGTIF-UHFFFAOYSA-N
XLogP4.06
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,6-tetramethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 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) is 2,4,6,6-tetramethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2,4,6,6-tetramethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2,4,6,6-tetramethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one is Cc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)C(C)(C)C2.
What is the InChIKey of 2,4,6,6-tetramethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZCBZIEODXPGTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-15-21-13-25(3,4)24(33)32(23(21)27-16(2)26-15)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)22-28-30-31-29-22/h5-12H,13-14H2,1-4H3,(H,28,29,30,31).
What are the key properties of 2,4,6,6-tetramethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one?
2,4,6,6-tetramethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 439.52 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,6-tetramethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10320969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).