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

C19H30N6O2 — CID 26228592

IUPAC5-(1H-imidazol-2-ylmethyl)-N-(2-methoxyethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1nn(CCC(C)C)c2c1CN(Cc1ncc[nH]1)CC2
InChIInChI=1S/C19H30N6O2/c1-14(2)4-10-25-16-5-9-24(13-17-20-6-7-21-17)12-15(16)18(23-25)19(26)22-8-11-27-3/h6-7,14H,4-5,8-13H2,1-3H3,(H,20,21)(H,22,26)
InChIKeyXQKKBXRGQISVFM-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.59
Rot. Bonds9

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

5-(1H-imidazol-2-ylmethyl)-N-(2-methoxyethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26228592) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-(1H-imidazol-2-ylmethyl)-N-(2-methoxyethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1H-imidazol-2-ylmethyl)-N-(2-methoxyethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26228592
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name5-(1H-imidazol-2-ylmethyl)-N-(2-methoxyethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1nn(CCC(C)C)c2c1CN(Cc1ncc[nH]1)CC2
InChIInChI=1S/C19H30N6O2/c1-14(2)4-10-25-16-5-9-24(13-17-20-6-7-21-17)12-15(16)18(23-25)19(26)22-8-11-27-3/h6-7,14H,4-5,8-13H2,1-3H3,(H,20,21)(H,22,26)
InChIKeyXQKKBXRGQISVFM-UHFFFAOYSA-N
XLogP1.59
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-ylmethyl)-N-(2-methoxyethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(1H-imidazol-2-ylmethyl)-N-(2-methoxyethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26228592) is 5-(1H-imidazol-2-ylmethyl)-N-(2-methoxyethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(1H-imidazol-2-ylmethyl)-N-(2-methoxyethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(1H-imidazol-2-ylmethyl)-N-(2-methoxyethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COCCNC(=O)c1nn(CCC(C)C)c2c1CN(Cc1ncc[nH]1)CC2.
What is the InChIKey of 5-(1H-imidazol-2-ylmethyl)-N-(2-methoxyethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is XQKKBXRGQISVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-14(2)4-10-25-16-5-9-24(13-17-20-6-7-21-17)12-15(16)18(23-25)19(26)22-8-11-27-3/h6-7,14H,4-5,8-13H2,1-3H3,(H,20,21)(H,22,26).
What are the key properties of 5-(1H-imidazol-2-ylmethyl)-N-(2-methoxyethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-(1H-imidazol-2-ylmethyl)-N-(2-methoxyethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-ylmethyl)-N-(2-methoxyethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26228592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).