(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(4-pyrrol-1-ylphenyl)methanone

C21H24N4O — CID 108732113

IUPAC(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(4-pyrrol-1-ylphenyl)methanone
SMILESCC(C)(C)n1ncc2c1CCN(C(=O)c1ccc(-n3cccc3)cc1)C2
InChIInChI=1S/C21H24N4O/c1-21(2,3)25-19-10-13-24(15-17(19)14-22-25)20(26)16-6-8-18(9-7-16)23-11-4-5-12-23/h4-9,11-12,14H,10,13,15H2,1-3H3
InChIKeyQZIXHZUHOMDMFB-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.63
Rot. Bonds2

About (1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(4-pyrrol-1-ylphenyl)methanone

(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 108732113) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(4-pyrrol-1-ylphenyl)methanone
PubChem CID108732113
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(4-pyrrol-1-ylphenyl)methanone
SMILESCC(C)(C)n1ncc2c1CCN(C(=O)c1ccc(-n3cccc3)cc1)C2
InChIInChI=1S/C21H24N4O/c1-21(2,3)25-19-10-13-24(15-17(19)14-22-25)20(26)16-6-8-18(9-7-16)23-11-4-5-12-23/h4-9,11-12,14H,10,13,15H2,1-3H3
InChIKeyQZIXHZUHOMDMFB-UHFFFAOYSA-N
XLogP3.63
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(2,3-dimethylquinoxalin-6-yl)methanone
CID 108755726
5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-propan-2-ylisoindole-1,3-dione
CID 108755616
(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(5-methylfuran-2-yl)methanone
CID 108732245
1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2,2,2-trichloroethanone
CID 108732144
1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
CID 108781376
(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(2,4-dichlorophenyl)methanone
CID 108732172
(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methanone
CID 108732132
4-tert-butyl-N-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]benzamide
CID 108755611
3-bromo-1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 108732236
2-[4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]-6,8-dimethylchromen-4-one
CID 108809786
5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-(furan-2-ylmethyl)isoindole-1,3-dione
CID 108732162
2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione
CID 108755633

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of (1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(4-pyrrol-1-ylphenyl)methanone (CID 108732113) is (1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for (1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for (1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(4-pyrrol-1-ylphenyl)methanone is CC(C)(C)n1ncc2c1CCN(C(=O)c1ccc(-n3cccc3)cc1)C2.
What is the InChIKey of (1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is QZIXHZUHOMDMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-21(2,3)25-19-10-13-24(15-17(19)14-22-25)20(26)16-6-8-18(9-7-16)23-11-4-5-12-23/h4-9,11-12,14H,10,13,15H2,1-3H3.
What are the key properties of (1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(4-pyrrol-1-ylphenyl)methanone?
(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 348.45 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 108732113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).