6-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C24H24FN3O2 — CID 135622573

IUPAC6-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)(C)c1ccc(C(=O)N2CCc3nc(-c4cccc(F)c4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C24H24FN3O2/c1-24(2,3)17-9-7-15(8-10-17)23(30)28-12-11-20-19(14-28)22(29)27-21(26-20)16-5-4-6-18(25)13-16/h4-10,13H,11-12,14H2,1-3H3,(H,26,27,29)
InChIKeyPVDTYWZICYLQNY-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.07
Rot. Bonds2

About 6-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135622573) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 6-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135622573
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name6-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)(C)c1ccc(C(=O)N2CCc3nc(-c4cccc(F)c4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C24H24FN3O2/c1-24(2,3)17-9-7-15(8-10-17)23(30)28-12-11-20-19(14-28)22(29)27-21(26-20)16-5-4-6-18(25)13-16/h4-10,13H,11-12,14H2,1-3H3,(H,26,27,29)
InChIKeyPVDTYWZICYLQNY-UHFFFAOYSA-N
XLogP4.07
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135622573) is 6-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC(C)(C)c1ccc(C(=O)N2CCc3nc(-c4cccc(F)c4)[nH]c(=O)c3C2)cc1.
What is the InChIKey of 6-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is PVDTYWZICYLQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-24(2,3)17-9-7-15(8-10-17)23(30)28-12-11-20-19(14-28)22(29)27-21(26-20)16-5-4-6-18(25)13-16/h4-10,13H,11-12,14H2,1-3H3,(H,26,27,29).
What are the key properties of 6-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 405.47 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135622573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).