3-[4-chloro-3-[2-[4-[[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]phenyl]ethynyl]phenyl]-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C39H43ClN6O2 — CID 25025767

About 3-[4-chloro-3-[2-[4-[[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]phenyl]ethynyl]phenyl]-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

3-[4-chloro-3-[2-[4-[[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]phenyl]ethynyl]phenyl]-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 25025767) has the molecular formula C39H43ClN6O2 and a molecular weight of 663.27 g/mol. Its IUPAC name is 3-[4-chloro-3-[2-[4-[[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]phenyl]ethynyl]phenyl]-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 3-[4-chloro-3-[2-[4-[[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]phenyl]ethynyl]phenyl]-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 25025767
• Molecular Formula: C39H43ClN6O2
• Molecular Weight: 663.27 g/mol
• Exact Mass: 662.31
• IUPAC Name: 3-[4-chloro-3-[2-[4-[[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]phenyl]ethynyl]phenyl]-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: NC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(CN[C@@H]5CCCc6ccccc65)cc4)c3)nn2CCCN2CCOCC2)C1
• InChI: InChI=1S/C39H43ClN6O2/c40-35-16-15-32(38-34-27-45(39(41)47)20-17-37(34)46(43-38)19-4-18-44-21-23-48-24-22-44)25-31(35)14-13-28-9-11-29(12-10-28)26-42-36-8-3-6-30-5-1-2-7-33(30)36/h1-2,5,7,9-12,15-16,25,36,42H,3-4,6,8,17-24,26-27H2,(H2,41,47)/t36-/m1/s1
• InChIKey: DCRGTHUSYIFNLO-PSXMRANNSA-N
• XLogP: 5.93
• TPSA: 88.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.27
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-[2-[4-[[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]phenyl]ethynyl]phenyl]-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of 3-[4-chloro-3-[2-[4-[[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]phenyl]ethynyl]phenyl]-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 25025767) is 3-[4-chloro-3-[2-[4-[[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]phenyl]ethynyl]phenyl]-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for 3-[4-chloro-3-[2-[4-[[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]phenyl]ethynyl]phenyl]-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for 3-[4-chloro-3-[2-[4-[[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]phenyl]ethynyl]phenyl]-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is NC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(CN[C@@H]5CCCc6ccccc65)cc4)c3)nn2CCCN2CCOCC2)C1.

What is the InChIKey of 3-[4-chloro-3-[2-[4-[[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]phenyl]ethynyl]phenyl]-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is DCRGTHUSYIFNLO-PSXMRANNSA-N. The full InChI is InChI=1S/C39H43ClN6O2/c40-35-16-15-32(38-34-27-45(39(41)47)20-17-37(34)46(43-38)19-4-18-44-21-23-48-24-22-44)25-31(35)14-13-28-9-11-29(12-10-28)26-42-36-8-3-6-30-5-1-2-7-33(30)36/h1-2,5,7,9-12,15-16,25,36,42H,3-4,6,8,17-24,26-27H2,(H2,41,47)/t36-/m1/s1.

What are the key properties of 3-[4-chloro-3-[2-[4-[[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]phenyl]ethynyl]phenyl]-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

3-[4-chloro-3-[2-[4-[[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]phenyl]ethynyl]phenyl]-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 663.27 g/mol, XLogP of 5.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-chloro-3-[2-[4-[[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]phenyl]ethynyl]phenyl]-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 25025767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).