1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-ethylpiperidine-4-carboxamide

C21H31N5O3 — CID 50831077

IUPAC1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2nn(C)c3c2CN(C(=O)C2CCC2)CC3)CC1
InChIInChI=1S/C21H31N5O3/c1-3-22-19(27)14-7-10-25(11-8-14)21(29)18-16-13-26(20(28)15-5-4-6-15)12-9-17(16)24(2)23-18/h14-15H,3-13H2,1-2H3,(H,22,27)
InChIKeyVJZCSGKFKKTXFA-UHFFFAOYSA-N
MW401.51 g/mol
LogP1.09
Rot. Bonds4

About 1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-ethylpiperidine-4-carboxamide

1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-ethylpiperidine-4-carboxamide (PubChem CID 50831077) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-ethylpiperidine-4-carboxamide
PubChem CID50831077
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC Name1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2nn(C)c3c2CN(C(=O)C2CCC2)CC3)CC1
InChIInChI=1S/C21H31N5O3/c1-3-22-19(27)14-7-10-25(11-8-14)21(29)18-16-13-26(20(28)15-5-4-6-15)12-9-17(16)24(2)23-18/h14-15H,3-13H2,1-2H3,(H,22,27)
InChIKeyVJZCSGKFKKTXFA-UHFFFAOYSA-N
XLogP1.09
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-ethylpiperidine-4-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 1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-ethylpiperidine-4-carboxamide (CID 50831077) is 1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-ethylpiperidine-4-carboxamide is CCNC(=O)C1CCN(C(=O)c2nn(C)c3c2CN(C(=O)C2CCC2)CC3)CC1.
What is the InChIKey of 1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-ethylpiperidine-4-carboxamide?
The InChIKey is VJZCSGKFKKTXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3/c1-3-22-19(27)14-7-10-25(11-8-14)21(29)18-16-13-26(20(28)15-5-4-6-15)12-9-17(16)24(2)23-18/h14-15H,3-13H2,1-2H3,(H,22,27).
What are the key properties of 1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-ethylpiperidine-4-carboxamide?
1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-ethylpiperidine-4-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 50831077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).