1-cyclopropyl-3-[3-(1-propan-2-ylpyrazol-4-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbaldehyde;ethane

C27H32N6O — CID 176985072

About 1-cyclopropyl-3-[3-(1-propan-2-ylpyrazol-4-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbaldehyde;ethane

1-cyclopropyl-3-[3-(1-propan-2-ylpyrazol-4-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbaldehyde;ethane (PubChem CID 176985072) has the molecular formula C27H32N6O and a molecular weight of 456.59 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(1-propan-2-ylpyrazol-4-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbaldehyde;ethane.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[3-(1-propan-2-ylpyrazol-4-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbaldehyde;ethane
• PubChem CID: 176985072
• Molecular Formula: C27H32N6O
• Molecular Weight: 456.59 g/mol
• Exact Mass: 456.26
• IUPAC Name: 1-cyclopropyl-3-[3-(1-propan-2-ylpyrazol-4-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbaldehyde;ethane
• SMILES: CC.CC(C)n1cc(-c2cc3cccc(-c4nn(C5CC5)c5c4CN(C=O)CC5)c3cn2)cn1
• InChI: InChI=1S/C25H26N6O.C2H6/c1-16(2)30-13-18(11-27-30)23-10-17-4-3-5-20(21(17)12-26-23)25-22-14-29(15-32)9-8-24(22)31(28-25)19-6-7-19;1-2/h3-5,10-13,15-16,19H,6-9,14H2,1-2H3;1-2H3
• InChIKey: WIFPJRIKCKOQSA-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 68.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.59
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-(1-propan-2-ylpyrazol-4-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbaldehyde;ethane?

The IUPAC name of 1-cyclopropyl-3-[3-(1-propan-2-ylpyrazol-4-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbaldehyde;ethane (CID 176985072) is 1-cyclopropyl-3-[3-(1-propan-2-ylpyrazol-4-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbaldehyde;ethane.

What is the SMILES notation for 1-cyclopropyl-3-[3-(1-propan-2-ylpyrazol-4-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbaldehyde;ethane?

The canonical SMILES for 1-cyclopropyl-3-[3-(1-propan-2-ylpyrazol-4-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbaldehyde;ethane is CC.CC(C)n1cc(-c2cc3cccc(-c4nn(C5CC5)c5c4CN(C=O)CC5)c3cn2)cn1.

What is the InChIKey of 1-cyclopropyl-3-[3-(1-propan-2-ylpyrazol-4-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbaldehyde;ethane?

The InChIKey is WIFPJRIKCKOQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O.C2H6/c1-16(2)30-13-18(11-27-30)23-10-17-4-3-5-20(21(17)12-26-23)25-22-14-29(15-32)9-8-24(22)31(28-25)19-6-7-19;1-2/h3-5,10-13,15-16,19H,6-9,14H2,1-2H3;1-2H3.

What are the key properties of 1-cyclopropyl-3-[3-(1-propan-2-ylpyrazol-4-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbaldehyde;ethane?

1-cyclopropyl-3-[3-(1-propan-2-ylpyrazol-4-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbaldehyde;ethane has a molecular weight of 456.59 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[3-(1-propan-2-ylpyrazol-4-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbaldehyde;ethane is sourced from PubChem (CID 176985072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).