5-methyl-2,4-dioxo-N-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide

C31H25N5O3 — CID 166335392

IUPAC5-methyl-2,4-dioxo-N-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)NCC(c2ccccc2)c2c(-c3ccccc3)[nH]c3ccccc23)nc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C31H25N5O3/c1-18-16-24(34-28-25(18)30(38)36-31(39)35-28)29(37)32-17-22(19-10-4-2-5-11-19)26-21-14-8-9-15-23(21)33-27(26)20-12-6-3-7-13-20/h2-16,22,33H,17H2,1H3,(H,32,37)(H2,34,35,36,38,39)
InChIKeyLRJHJLOXBZMEOM-UHFFFAOYSA-N
MW515.57 g/mol
LogP4.63
Rot. Bonds6

About 5-methyl-2,4-dioxo-N-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide

5-methyl-2,4-dioxo-N-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 166335392) has the molecular formula C31H25N5O3 and a molecular weight of 515.57 g/mol. Its IUPAC name is 5-methyl-2,4-dioxo-N-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name5-methyl-2,4-dioxo-N-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID166335392
Molecular FormulaC31H25N5O3
Molecular Weight515.57 g/mol
Exact Mass515.20
IUPAC Name5-methyl-2,4-dioxo-N-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)NCC(c2ccccc2)c2c(-c3ccccc3)[nH]c3ccccc23)nc2[nH]c(=O)[nH]c(=O)c12
InChIInChI=1S/C31H25N5O3/c1-18-16-24(34-28-25(18)30(38)36-31(39)35-28)29(37)32-17-22(19-10-4-2-5-11-19)26-21-14-8-9-15-23(21)33-27(26)20-12-6-3-7-13-20/h2-16,22,33H,17H2,1H3,(H,32,37)(H2,34,35,36,38,39)
InChIKeyLRJHJLOXBZMEOM-UHFFFAOYSA-N
XLogP4.63
TPSA123.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.57
LogP ≤ 54.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-dioxo-N-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 5-methyl-2,4-dioxo-N-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide (CID 166335392) is 5-methyl-2,4-dioxo-N-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 5-methyl-2,4-dioxo-N-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 5-methyl-2,4-dioxo-N-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide is Cc1cc(C(=O)NCC(c2ccccc2)c2c(-c3ccccc3)[nH]c3ccccc23)nc2[nH]c(=O)[nH]c(=O)c12.
What is the InChIKey of 5-methyl-2,4-dioxo-N-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is LRJHJLOXBZMEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N5O3/c1-18-16-24(34-28-25(18)30(38)36-31(39)35-28)29(37)32-17-22(19-10-4-2-5-11-19)26-21-14-8-9-15-23(21)33-27(26)20-12-6-3-7-13-20/h2-16,22,33H,17H2,1H3,(H,32,37)(H2,34,35,36,38,39).
What are the key properties of 5-methyl-2,4-dioxo-N-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
5-methyl-2,4-dioxo-N-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 515.57 g/mol, XLogP of 4.63, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-dioxo-N-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 166335392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).