N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C20H30N6O3 — CID 26228853

IUPACN-(2-methoxyethyl)-1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)c1cc(C)[nH]n1)CC2
InChIInChI=1S/C20H30N6O3/c1-13(2)5-9-26-17-6-8-25(20(28)16-11-14(3)22-23-16)12-15(17)18(24-26)19(27)21-7-10-29-4/h11,13H,5-10,12H2,1-4H3,(H,21,27)(H,22,23)
InChIKeySKJDPTPZDHNUKU-UHFFFAOYSA-N
MW402.50 g/mol
LogP1.54
Rot. Bonds8

About N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26228853) has the molecular formula C20H30N6O3 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26228853
Molecular FormulaC20H30N6O3
Molecular Weight402.50 g/mol
Exact Mass402.24
IUPAC NameN-(2-methoxyethyl)-1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)c1cc(C)[nH]n1)CC2
InChIInChI=1S/C20H30N6O3/c1-13(2)5-9-26-17-6-8-25(20(28)16-11-14(3)22-23-16)12-15(17)18(24-26)19(27)21-7-10-29-4/h11,13H,5-10,12H2,1-4H3,(H,21,27)(H,22,23)
InChIKeySKJDPTPZDHNUKU-UHFFFAOYSA-N
XLogP1.54
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26228853) is N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COCCNC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)c1cc(C)[nH]n1)CC2.
What is the InChIKey of N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is SKJDPTPZDHNUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O3/c1-13(2)5-9-26-17-6-8-25(20(28)16-11-14(3)22-23-16)12-15(17)18(24-26)19(27)21-7-10-29-4/h11,13H,5-10,12H2,1-4H3,(H,21,27)(H,22,23).
What are the key properties of N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(5-methyl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26228853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).