7-(2-hydroxypropan-2-yl)-4-[3-(5-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide

C32H28N4O5 — CID 90467832

About 7-(2-hydroxypropan-2-yl)-4-[3-(5-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide

7-(2-hydroxypropan-2-yl)-4-[3-(5-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide (PubChem CID 90467832) has the molecular formula C32H28N4O5 and a molecular weight of 548.60 g/mol. Its IUPAC name is 7-(2-hydroxypropan-2-yl)-4-[3-(5-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide.

Molecular Properties

• Compound Name: 7-(2-hydroxypropan-2-yl)-4-[3-(5-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide
• PubChem CID: 90467832
• Molecular Formula: C32H28N4O5
• Molecular Weight: 548.60 g/mol
• Exact Mass: 548.21
• IUPAC Name: 7-(2-hydroxypropan-2-yl)-4-[3-(5-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide
• SMILES: COc1cccn2c(=O)n(-c3cccc(-c4ccc(C(N)=O)c5[nH]c6cc(C(C)(C)O)ccc6c45)c3C)c(=O)cc12
• InChI: InChI=1S/C32H28N4O5/c1-17-19(7-5-8-24(17)36-27(37)16-25-26(41-4)9-6-14-35(25)31(36)39)20-12-13-22(30(33)38)29-28(20)21-11-10-18(32(2,3)40)15-23(21)34-29/h5-16,34,40H,1-4H3,(H2,33,38)
• InChIKey: YSLQGJFYBNLPDI-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 131.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.60
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxypropan-2-yl)-4-[3-(5-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide?

The IUPAC name of 7-(2-hydroxypropan-2-yl)-4-[3-(5-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide (CID 90467832) is 7-(2-hydroxypropan-2-yl)-4-[3-(5-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide.

What is the SMILES notation for 7-(2-hydroxypropan-2-yl)-4-[3-(5-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide?

The canonical SMILES for 7-(2-hydroxypropan-2-yl)-4-[3-(5-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide is COc1cccn2c(=O)n(-c3cccc(-c4ccc(C(N)=O)c5[nH]c6cc(C(C)(C)O)ccc6c45)c3C)c(=O)cc12.

What is the InChIKey of 7-(2-hydroxypropan-2-yl)-4-[3-(5-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide?

The InChIKey is YSLQGJFYBNLPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O5/c1-17-19(7-5-8-24(17)36-27(37)16-25-26(41-4)9-6-14-35(25)31(36)39)20-12-13-22(30(33)38)29-28(20)21-11-10-18(32(2,3)40)15-23(21)34-29/h5-16,34,40H,1-4H3,(H2,33,38).

What are the key properties of 7-(2-hydroxypropan-2-yl)-4-[3-(5-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide?

7-(2-hydroxypropan-2-yl)-4-[3-(5-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide has a molecular weight of 548.60 g/mol, XLogP of 4.40, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-hydroxypropan-2-yl)-4-[3-(5-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide is sourced from PubChem (CID 90467832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).