1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)ethanone

C21H26N4O2 — CID 108732195

IUPAC1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)ethanone
SMILESCc1cc2onc(CC(=O)N3CCc4c(cnn4C(C)(C)C)C3)c2cc1C
InChIInChI=1S/C21H26N4O2/c1-13-8-16-17(23-27-19(16)9-14(13)2)10-20(26)24-7-6-18-15(12-24)11-22-25(18)21(3,4)5/h8-9,11H,6-7,10,12H2,1-5H3
InChIKeyZMFQUKWSZRXAJN-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.52
Rot. Bonds2

About 1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)ethanone

1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)ethanone (PubChem CID 108732195) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)ethanone
PubChem CID108732195
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)ethanone
SMILESCc1cc2onc(CC(=O)N3CCc4c(cnn4C(C)(C)C)C3)c2cc1C
InChIInChI=1S/C21H26N4O2/c1-13-8-16-17(23-27-19(16)9-14(13)2)10-20(26)24-7-6-18-15(12-24)11-22-25(18)21(3,4)5/h8-9,11H,6-7,10,12H2,1-5H3
InChIKeyZMFQUKWSZRXAJN-UHFFFAOYSA-N
XLogP3.52
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)ethanone with MolForge

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Related Compounds

1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(5,7-dimethyl-1,2-benzoxazol-3-yl)ethanone
CID 108732228
3-bromo-1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 108732236
2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione
CID 108755633
1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2,2,2-trichloroethanone
CID 108732144
1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-[butyl(methyl)amino]propan-1-one
CID 108732222
(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(5-methylfuran-2-yl)methanone
CID 108732245
2-bromo-1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butan-1-one
CID 108732170
4-tert-butyl-N-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]benzamide
CID 108755611
1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 108755702
1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-(4-ethoxy-3-methoxyphenyl)propan-1-one
CID 108732146
2-(1,2-benzoxazol-3-yl)-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 75472817
(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(2,3-dimethylquinoxalin-6-yl)methanone
CID 108755726

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)ethanone?
The IUPAC name of 1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)ethanone (CID 108732195) is 1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)ethanone.
What is the SMILES notation for 1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)ethanone?
The canonical SMILES for 1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)ethanone is Cc1cc2onc(CC(=O)N3CCc4c(cnn4C(C)(C)C)C3)c2cc1C.
What is the InChIKey of 1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)ethanone?
The InChIKey is ZMFQUKWSZRXAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-13-8-16-17(23-27-19(16)9-14(13)2)10-20(26)24-7-6-18-15(12-24)11-22-25(18)21(3,4)5/h8-9,11H,6-7,10,12H2,1-5H3.
What are the key properties of 1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)ethanone?
1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)ethanone has a molecular weight of 366.47 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)ethanone is sourced from PubChem (CID 108732195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).