[2-(1H-imidazol-2-yl)phenyl]-[1-(3-methylbutyl)-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

C26H32N6O3 — CID 26138303

IUPAC[2-(1H-imidazol-2-yl)phenyl]-[1-(3-methylbutyl)-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCC(C)CCn1nc(C(=O)N2CCOCC2)c2c1CCN(C(=O)c1ccccc1-c1ncc[nH]1)C2
InChIInChI=1S/C26H32N6O3/c1-18(2)7-12-32-22-8-11-31(17-21(22)23(29-32)26(34)30-13-15-35-16-14-30)25(33)20-6-4-3-5-19(20)24-27-9-10-28-24/h3-6,9-10,18H,7-8,11-17H2,1-2H3,(H,27,28)
InChIKeyCZWOUSQKYCYUDM-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.99
Rot. Bonds6

About [2-(1H-imidazol-2-yl)phenyl]-[1-(3-methylbutyl)-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

[2-(1H-imidazol-2-yl)phenyl]-[1-(3-methylbutyl)-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 26138303) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is [2-(1H-imidazol-2-yl)phenyl]-[1-(3-methylbutyl)-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[2-(1H-imidazol-2-yl)phenyl]-[1-(3-methylbutyl)-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID26138303
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name[2-(1H-imidazol-2-yl)phenyl]-[1-(3-methylbutyl)-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCC(C)CCn1nc(C(=O)N2CCOCC2)c2c1CCN(C(=O)c1ccccc1-c1ncc[nH]1)C2
InChIInChI=1S/C26H32N6O3/c1-18(2)7-12-32-22-8-11-31(17-21(22)23(29-32)26(34)30-13-15-35-16-14-30)25(33)20-6-4-3-5-19(20)24-27-9-10-28-24/h3-6,9-10,18H,7-8,11-17H2,1-2H3,(H,27,28)
InChIKeyCZWOUSQKYCYUDM-UHFFFAOYSA-N
XLogP2.99
TPSA96.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(1H-imidazol-2-yl)phenyl]-[1-(3-methylbutyl)-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

ethyl 1-ethyl-5-[2-(1H-imidazol-2-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26224805
[5-(1H-imidazol-2-ylmethyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-piperidin-1-ylmethanone
CID 134573895
[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 26227260
(2-methylpyrazol-3-yl)-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 26222128
(2R)-1-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 26138972
4-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 45160636
2,2-dimethyl-1-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 26137509
1-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenylpropan-1-one
CID 45159384
[2-(1H-imidazol-2-yl)phenyl]-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 133138018
[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-naphthalen-2-ylmethanone
CID 26139731
3-[3-(morpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-2,3-dihydroinden-1-one
CID 45162939
[(2S)-1-methylazepan-2-yl]-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 26133918

Frequently Asked Questions

What is the IUPAC name of [2-(1H-imidazol-2-yl)phenyl]-[1-(3-methylbutyl)-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of [2-(1H-imidazol-2-yl)phenyl]-[1-(3-methylbutyl)-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (CID 26138303) is [2-(1H-imidazol-2-yl)phenyl]-[1-(3-methylbutyl)-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for [2-(1H-imidazol-2-yl)phenyl]-[1-(3-methylbutyl)-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for [2-(1H-imidazol-2-yl)phenyl]-[1-(3-methylbutyl)-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is CC(C)CCn1nc(C(=O)N2CCOCC2)c2c1CCN(C(=O)c1ccccc1-c1ncc[nH]1)C2.
What is the InChIKey of [2-(1H-imidazol-2-yl)phenyl]-[1-(3-methylbutyl)-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is CZWOUSQKYCYUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-18(2)7-12-32-22-8-11-31(17-21(22)23(29-32)26(34)30-13-15-35-16-14-30)25(33)20-6-4-3-5-19(20)24-27-9-10-28-24/h3-6,9-10,18H,7-8,11-17H2,1-2H3,(H,27,28).
What are the key properties of [2-(1H-imidazol-2-yl)phenyl]-[1-(3-methylbutyl)-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
[2-(1H-imidazol-2-yl)phenyl]-[1-(3-methylbutyl)-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 476.58 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-imidazol-2-yl)phenyl]-[1-(3-methylbutyl)-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 26138303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).