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

C23H21N7O2 — CID 10048156

IUPAC2-(hydroxymethyl)-4-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(CO)nc2c1CCC(=O)N2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H21N7O2/c1-14-17-10-11-21(32)30(23(17)25-20(13-31)24-14)12-15-6-8-16(9-7-15)18-4-2-3-5-19(18)22-26-28-29-27-22/h2-9,31H,10-13H2,1H3,(H,26,27,28,29)
InChIKeyPYGFPKLNGWVHGK-UHFFFAOYSA-N
MW427.47 g/mol
LogP2.60
Rot. Bonds5

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

2-(hydroxymethyl)-4-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 10048156) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID10048156
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name2-(hydroxymethyl)-4-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(CO)nc2c1CCC(=O)N2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H21N7O2/c1-14-17-10-11-21(32)30(23(17)25-20(13-31)24-14)12-15-6-8-16(9-7-15)18-4-2-3-5-19(18)22-26-28-29-27-22/h2-9,31H,10-13H2,1H3,(H,26,27,28,29)
InChIKeyPYGFPKLNGWVHGK-UHFFFAOYSA-N
XLogP2.60
TPSA120.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(hydroxymethyl)-4-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 10048156) is 2-(hydroxymethyl)-4-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(hydroxymethyl)-4-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(hydroxymethyl)-4-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(CO)nc2c1CCC(=O)N2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-(hydroxymethyl)-4-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PYGFPKLNGWVHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-14-17-10-11-21(32)30(23(17)25-20(13-31)24-14)12-15-6-8-16(9-7-15)18-4-2-3-5-19(18)22-26-28-29-27-22/h2-9,31H,10-13H2,1H3,(H,26,27,28,29).
What are the key properties of 2-(hydroxymethyl)-4-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-(hydroxymethyl)-4-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 427.47 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10048156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).