5-(isoquinoline-1-carbonyl)-N,N,2-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide

C20H21N5O2 — CID 110248216

IUPAC5-(isoquinoline-1-carbonyl)-N,N,2-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCN(C)C(=O)C1CN(C(=O)c2nccc3ccccc23)Cc2cn(C)nc21
InChIInChI=1S/C20H21N5O2/c1-23(2)19(26)16-12-25(11-14-10-24(3)22-17(14)16)20(27)18-15-7-5-4-6-13(15)8-9-21-18/h4-10,16H,11-12H2,1-3H3
InChIKeyUJCSQKFUHLLHEJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.80
Rot. Bonds2

About 5-(isoquinoline-1-carbonyl)-N,N,2-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide

5-(isoquinoline-1-carbonyl)-N,N,2-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 110248216) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-(isoquinoline-1-carbonyl)-N,N,2-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-(isoquinoline-1-carbonyl)-N,N,2-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID110248216
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name5-(isoquinoline-1-carbonyl)-N,N,2-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCN(C)C(=O)C1CN(C(=O)c2nccc3ccccc23)Cc2cn(C)nc21
InChIInChI=1S/C20H21N5O2/c1-23(2)19(26)16-12-25(11-14-10-24(3)22-17(14)16)20(27)18-15-7-5-4-6-13(15)8-9-21-18/h4-10,16H,11-12H2,1-3H3
InChIKeyUJCSQKFUHLLHEJ-UHFFFAOYSA-N
XLogP1.80
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(isoquinoline-1-carbonyl)-N,N,2-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(isoquinoline-1-carbonyl)-N,N,2-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of 5-(isoquinoline-1-carbonyl)-N,N,2-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (CID 110248216) is 5-(isoquinoline-1-carbonyl)-N,N,2-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-(isoquinoline-1-carbonyl)-N,N,2-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for 5-(isoquinoline-1-carbonyl)-N,N,2-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is CN(C)C(=O)C1CN(C(=O)c2nccc3ccccc23)Cc2cn(C)nc21.
What is the InChIKey of 5-(isoquinoline-1-carbonyl)-N,N,2-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is UJCSQKFUHLLHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-23(2)19(26)16-12-25(11-14-10-24(3)22-17(14)16)20(27)18-15-7-5-4-6-13(15)8-9-21-18/h4-10,16H,11-12H2,1-3H3.
What are the key properties of 5-(isoquinoline-1-carbonyl)-N,N,2-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
5-(isoquinoline-1-carbonyl)-N,N,2-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(isoquinoline-1-carbonyl)-N,N,2-trimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 110248216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).