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

C23H19N7O3 — CID 10478476

IUPAC2,4-bis(hydroxymethyl)-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2c(CO)nc(CO)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H19N7O3/c31-12-19-18-9-10-21(33)30(23(18)25-20(13-32)24-19)11-14-5-7-15(8-6-14)16-3-1-2-4-17(16)22-26-28-29-27-22/h1-10,31-32H,11-13H2,(H,26,27,28,29)
InChIKeyGCRKPEJIEZYAGJ-UHFFFAOYSA-N
MW441.45 g/mol
LogP1.67
Rot. Bonds6

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

2,4-bis(hydroxymethyl)-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 10478476) has the molecular formula C23H19N7O3 and a molecular weight of 441.45 g/mol. Its IUPAC name is 2,4-bis(hydroxymethyl)-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2,4-bis(hydroxymethyl)-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID10478476
Molecular FormulaC23H19N7O3
Molecular Weight441.45 g/mol
Exact Mass441.15
IUPAC Name2,4-bis(hydroxymethyl)-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2c(CO)nc(CO)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H19N7O3/c31-12-19-18-9-10-21(33)30(23(18)25-20(13-32)24-19)11-14-5-7-15(8-6-14)16-3-1-2-4-17(16)22-26-28-29-27-22/h1-10,31-32H,11-13H2,(H,26,27,28,29)
InChIKeyGCRKPEJIEZYAGJ-UHFFFAOYSA-N
XLogP1.67
TPSA142.70 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(hydroxymethyl)-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2,4-bis(hydroxymethyl)-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 10478476) is 2,4-bis(hydroxymethyl)-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2,4-bis(hydroxymethyl)-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2,4-bis(hydroxymethyl)-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2c(CO)nc(CO)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2,4-bis(hydroxymethyl)-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GCRKPEJIEZYAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O3/c31-12-19-18-9-10-21(33)30(23(18)25-20(13-32)24-19)11-14-5-7-15(8-6-14)16-3-1-2-4-17(16)22-26-28-29-27-22/h1-10,31-32H,11-13H2,(H,26,27,28,29).
What are the key properties of 2,4-bis(hydroxymethyl)-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
2,4-bis(hydroxymethyl)-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 441.45 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(hydroxymethyl)-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10478476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).