[5-(1H-imidazol-2-ylmethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone

C21H32N6O — CID 134573895

IUPAC[5-(1H-imidazol-2-ylmethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone
SMILESCC(C)CCn1nc(C(=O)N2CCCCC2)c2c1CCN(Cc1ncc[nH]1)C2
InChIInChI=1S/C21H32N6O/c1-16(2)6-13-27-18-7-12-25(15-19-22-8-9-23-19)14-17(18)20(24-27)21(28)26-10-4-3-5-11-26/h8-9,16H,3-7,10-15H2,1-2H3,(H,22,23)
InChIKeyQWEFRLQGBKQJGM-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.84
Rot. Bonds6

About [5-(1H-imidazol-2-ylmethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone

[5-(1H-imidazol-2-ylmethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone (PubChem CID 134573895) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is [5-(1H-imidazol-2-ylmethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(1H-imidazol-2-ylmethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone
PubChem CID134573895
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name[5-(1H-imidazol-2-ylmethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone
SMILESCC(C)CCn1nc(C(=O)N2CCCCC2)c2c1CCN(Cc1ncc[nH]1)C2
InChIInChI=1S/C21H32N6O/c1-16(2)6-13-27-18-7-12-25(15-19-22-8-9-23-19)14-17(18)20(24-27)21(28)26-10-4-3-5-11-26/h8-9,16H,3-7,10-15H2,1-2H3,(H,22,23)
InChIKeyQWEFRLQGBKQJGM-UHFFFAOYSA-N
XLogP2.84
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(1H-imidazol-2-ylmethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(1H-imidazol-2-ylmethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone (CID 134573895) is [5-(1H-imidazol-2-ylmethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(1H-imidazol-2-ylmethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(1H-imidazol-2-ylmethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone is CC(C)CCn1nc(C(=O)N2CCCCC2)c2c1CCN(Cc1ncc[nH]1)C2.
What is the InChIKey of [5-(1H-imidazol-2-ylmethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is QWEFRLQGBKQJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-16(2)6-13-27-18-7-12-25(15-19-22-8-9-23-19)14-17(18)20(24-27)21(28)26-10-4-3-5-11-26/h8-9,16H,3-7,10-15H2,1-2H3,(H,22,23).
What are the key properties of [5-(1H-imidazol-2-ylmethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone?
[5-(1H-imidazol-2-ylmethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 384.53 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-imidazol-2-ylmethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 134573895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).