8-[[3-(1-tert-butyltetrazol-5-yl)-4-phenylphenyl]methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C27H29N7O — CID 67637023

IUPAC8-[[3-(1-tert-butyltetrazol-5-yl)-4-phenylphenyl]methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3)c(-c3nnnn3C(C)(C)C)c1)C(=O)CC2
InChIInChI=1S/C27H29N7O/c1-17-21-13-14-24(35)33(25(21)29-18(2)28-17)16-19-11-12-22(20-9-7-6-8-10-20)23(15-19)26-30-31-32-34(26)27(3,4)5/h6-12,15H,13-14,16H2,1-5H3
InChIKeyWLAMYCDISDKLQN-UHFFFAOYSA-N
MW467.58 g/mol
LogP4.65
Rot. Bonds4

About 8-[[3-(1-tert-butyltetrazol-5-yl)-4-phenylphenyl]methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-[[3-(1-tert-butyltetrazol-5-yl)-4-phenylphenyl]methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 67637023) has the molecular formula C27H29N7O and a molecular weight of 467.58 g/mol. Its IUPAC name is 8-[[3-(1-tert-butyltetrazol-5-yl)-4-phenylphenyl]methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[[3-(1-tert-butyltetrazol-5-yl)-4-phenylphenyl]methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID67637023
Molecular FormulaC27H29N7O
Molecular Weight467.58 g/mol
Exact Mass467.24
IUPAC Name8-[[3-(1-tert-butyltetrazol-5-yl)-4-phenylphenyl]methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3)c(-c3nnnn3C(C)(C)C)c1)C(=O)CC2
InChIInChI=1S/C27H29N7O/c1-17-21-13-14-24(35)33(25(21)29-18(2)28-17)16-19-11-12-22(20-9-7-6-8-10-20)23(15-19)26-30-31-32-34(26)27(3,4)5/h6-12,15H,13-14,16H2,1-5H3
InChIKeyWLAMYCDISDKLQN-UHFFFAOYSA-N
XLogP4.65
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.58
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[[3-(1-tert-butyltetrazol-5-yl)-4-phenylphenyl]methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[[3-(1-tert-butyltetrazol-5-yl)-4-phenylphenyl]methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 67637023) is 8-[[3-(1-tert-butyltetrazol-5-yl)-4-phenylphenyl]methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[[3-(1-tert-butyltetrazol-5-yl)-4-phenylphenyl]methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[[3-(1-tert-butyltetrazol-5-yl)-4-phenylphenyl]methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3)c(-c3nnnn3C(C)(C)C)c1)C(=O)CC2.
What is the InChIKey of 8-[[3-(1-tert-butyltetrazol-5-yl)-4-phenylphenyl]methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WLAMYCDISDKLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O/c1-17-21-13-14-24(35)33(25(21)29-18(2)28-17)16-19-11-12-22(20-9-7-6-8-10-20)23(15-19)26-30-31-32-34(26)27(3,4)5/h6-12,15H,13-14,16H2,1-5H3.
What are the key properties of 8-[[3-(1-tert-butyltetrazol-5-yl)-4-phenylphenyl]methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-[[3-(1-tert-butyltetrazol-5-yl)-4-phenylphenyl]methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 467.58 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-(1-tert-butyltetrazol-5-yl)-4-phenylphenyl]methyl]-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67637023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).