3-benzhydryl-7-(2,3-dihydro-1H-indene-1-carbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C31H29N3O2 — CID 59415154

IUPAC3-benzhydryl-7-(2,3-dihydro-1H-indene-1-carbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)C1CCc3ccccc31)C2
InChIInChI=1S/C31H29N3O2/c1-21-32-28-20-33(30(35)26-17-16-22-10-8-9-15-25(22)26)19-18-27(28)31(36)34(21)29(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-15,26,29H,16-20H2,1H3
InChIKeyPHVVXVZULXSJFU-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.80
Rot. Bonds4

About 3-benzhydryl-7-(2,3-dihydro-1H-indene-1-carbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

3-benzhydryl-7-(2,3-dihydro-1H-indene-1-carbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 59415154) has the molecular formula C31H29N3O2 and a molecular weight of 475.59 g/mol. Its IUPAC name is 3-benzhydryl-7-(2,3-dihydro-1H-indene-1-carbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzhydryl-7-(2,3-dihydro-1H-indene-1-carbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID59415154
Molecular FormulaC31H29N3O2
Molecular Weight475.59 g/mol
Exact Mass475.23
IUPAC Name3-benzhydryl-7-(2,3-dihydro-1H-indene-1-carbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)C1CCc3ccccc31)C2
InChIInChI=1S/C31H29N3O2/c1-21-32-28-20-33(30(35)26-17-16-22-10-8-9-15-25(22)26)19-18-27(28)31(36)34(21)29(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-15,26,29H,16-20H2,1H3
InChIKeyPHVVXVZULXSJFU-UHFFFAOYSA-N
XLogP4.80
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-7-(2,3-dihydro-1H-indene-1-carbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-benzhydryl-7-(2,3-dihydro-1H-indene-1-carbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 59415154) is 3-benzhydryl-7-(2,3-dihydro-1H-indene-1-carbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-benzhydryl-7-(2,3-dihydro-1H-indene-1-carbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-benzhydryl-7-(2,3-dihydro-1H-indene-1-carbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)C1CCc3ccccc31)C2.
What is the InChIKey of 3-benzhydryl-7-(2,3-dihydro-1H-indene-1-carbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is PHVVXVZULXSJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O2/c1-21-32-28-20-33(30(35)26-17-16-22-10-8-9-15-25(22)26)19-18-27(28)31(36)34(21)29(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-15,26,29H,16-20H2,1H3.
What are the key properties of 3-benzhydryl-7-(2,3-dihydro-1H-indene-1-carbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
3-benzhydryl-7-(2,3-dihydro-1H-indene-1-carbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 475.59 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-7-(2,3-dihydro-1H-indene-1-carbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 59415154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).