N-cyclopropyl-1-methyl-5-[5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]pyrrole-3-carboxamide

C29H33N7O3 — CID 58981126

About N-cyclopropyl-1-methyl-5-[5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]pyrrole-3-carboxamide

N-cyclopropyl-1-methyl-5-[5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]pyrrole-3-carboxamide (PubChem CID 58981126) has the molecular formula C29H33N7O3 and a molecular weight of 527.63 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-5-[5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-1-methyl-5-[5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]pyrrole-3-carboxamide
• PubChem CID: 58981126
• Molecular Formula: C29H33N7O3
• Molecular Weight: 527.63 g/mol
• Exact Mass: 527.26
• IUPAC Name: N-cyclopropyl-1-methyl-5-[5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]pyrrole-3-carboxamide
• SMILES: Cc1ccc2[nH]cc(Cn3nc4c(c3-c3cc(C(=O)NC5CC5)cn3C)c(=O)n(C)c(=O)n4CC(C)C)c2c1
• InChI: InChI=1S/C29H33N7O3/c1-16(2)13-35-26-24(28(38)34(5)29(35)39)25(23-11-18(14-33(23)4)27(37)31-20-7-8-20)36(32-26)15-19-12-30-22-9-6-17(3)10-21(19)22/h6,9-12,14,16,20,30H,7-8,13,15H2,1-5H3,(H,31,37)
• InChIKey: OEMAZMUOPLHNOP-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 111.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.63
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-5-[5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]pyrrole-3-carboxamide?

The IUPAC name of N-cyclopropyl-1-methyl-5-[5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]pyrrole-3-carboxamide (CID 58981126) is N-cyclopropyl-1-methyl-5-[5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]pyrrole-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-1-methyl-5-[5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]pyrrole-3-carboxamide?

The canonical SMILES for N-cyclopropyl-1-methyl-5-[5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]pyrrole-3-carboxamide is Cc1ccc2[nH]cc(Cn3nc4c(c3-c3cc(C(=O)NC5CC5)cn3C)c(=O)n(C)c(=O)n4CC(C)C)c2c1.

What is the InChIKey of N-cyclopropyl-1-methyl-5-[5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]pyrrole-3-carboxamide?

The InChIKey is OEMAZMUOPLHNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O3/c1-16(2)13-35-26-24(28(38)34(5)29(35)39)25(23-11-18(14-33(23)4)27(37)31-20-7-8-20)36(32-26)15-19-12-30-22-9-6-17(3)10-21(19)22/h6,9-12,14,16,20,30H,7-8,13,15H2,1-5H3,(H,31,37).

What are the key properties of N-cyclopropyl-1-methyl-5-[5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]pyrrole-3-carboxamide?

N-cyclopropyl-1-methyl-5-[5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]pyrrole-3-carboxamide has a molecular weight of 527.63 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-1-methyl-5-[5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 58981126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).