N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C29H30N4O4 — CID 24595834

About N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24595834) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 24595834
• Molecular Formula: C29H30N4O4
• Molecular Weight: 498.58 g/mol
• Exact Mass: 498.23
• IUPAC Name: N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: COc1ccc(CN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)C2CC2)cc1
• InChI: InChI=1S/C29H30N4O4/c1-18(2)33-28-24(16-30-33)23(15-25(31-28)20-6-11-26-27(14-20)37-13-12-36-26)29(34)32(21-7-8-21)17-19-4-9-22(35-3)10-5-19/h4-6,9-11,14-16,18,21H,7-8,12-13,17H2,1-3H3
• InChIKey: UHSMARFGYIGWTD-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 78.71 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.58
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 24595834) is N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(CN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c2cnn3C(C)C)C2CC2)cc1.

What is the InChIKey of N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is UHSMARFGYIGWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-18(2)33-28-24(16-30-33)23(15-25(31-28)20-6-11-26-27(14-20)37-13-12-36-26)29(34)32(21-7-8-21)17-19-4-9-22(35-3)10-5-19/h4-6,9-11,14-16,18,21H,7-8,12-13,17H2,1-3H3.

What are the key properties of N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24595834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).