1-tert-butyl-4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C15H21N5O — CID 135632399

IUPAC1-tert-butyl-4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1c(C2CC(=O)Nc3c2cnn3C(C)(C)C)cnn1C
InChIInChI=1S/C15H21N5O/c1-9-11(7-16-19(9)5)10-6-13(21)18-14-12(10)8-17-20(14)15(2,3)4/h7-8,10H,6H2,1-5H3,(H,18,21)
InChIKeyVIUGMVAZRXLJNZ-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.15
Rot. Bonds1

About 1-tert-butyl-4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

1-tert-butyl-4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135632399) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-tert-butyl-4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-tert-butyl-4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135632399
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-tert-butyl-4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1c(C2CC(=O)Nc3c2cnn3C(C)(C)C)cnn1C
InChIInChI=1S/C15H21N5O/c1-9-11(7-16-19(9)5)10-6-13(21)18-14-12(10)8-17-20(14)15(2,3)4/h7-8,10H,6H2,1-5H3,(H,18,21)
InChIKeyVIUGMVAZRXLJNZ-UHFFFAOYSA-N
XLogP2.15
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylpyrazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 71688969
1-tert-butyl-4-(1,3-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135632575
4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-isopropyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135632765
4-(1,3-dimethyl-1H-pyrazol-4-yl)-1-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135632837
4-(1,3-dimethyl-1H-pyrazol-4-yl)-1-isopropyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135632978
4-(1-ethyl-1H-imidazol-5-yl)-1,3-dimethyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 136056170
N-(1-ethyl-4-methyl-1H-pyrazol-5-yl)-3-(1-methyl-1H-pyrazol-5-yl)propanamide
CID 132413729
(4S)-1-tert-butyl-4-(1,3-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136012252
(4R)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136012297
(4R)-1-cyclopentyl-3-methyl-4-[2-(propan-2-ylamino)pyrimidin-5-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136907616
N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
CID 136570586
1-butyl-3-methyl-4-(4-piperidinyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one hydrochloride
CID 135987021

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-tert-butyl-4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135632399) is 1-tert-butyl-4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-tert-butyl-4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-tert-butyl-4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1c(C2CC(=O)Nc3c2cnn3C(C)(C)C)cnn1C.
What is the InChIKey of 1-tert-butyl-4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is VIUGMVAZRXLJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-9-11(7-16-19(9)5)10-6-13(21)18-14-12(10)8-17-20(14)15(2,3)4/h7-8,10H,6H2,1-5H3,(H,18,21).
What are the key properties of 1-tert-butyl-4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-tert-butyl-4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 287.37 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(1,5-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135632399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).