3-tert-butyl-4-(3-fluoro-2-pyridinyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C16H19FN4O — CID 171387890

IUPAC3-tert-butyl-4-(3-fluoro-2-pyridinyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(C(C)(C)C)c2c1NC(=O)CC2c1ncccc1F
InChIInChI=1S/C16H19FN4O/c1-16(2,3)14-12-9(13-10(17)6-5-7-18-13)8-11(22)19-15(12)21(4)20-14/h5-7,9H,8H2,1-4H3,(H,19,22)
InChIKeyXJENBFNMARWDTH-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.73
Rot. Bonds1

About 3-tert-butyl-4-(3-fluoro-2-pyridinyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

3-tert-butyl-4-(3-fluoro-2-pyridinyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 171387890) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-tert-butyl-4-(3-fluoro-2-pyridinyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-tert-butyl-4-(3-fluoro-2-pyridinyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID171387890
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name3-tert-butyl-4-(3-fluoro-2-pyridinyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(C(C)(C)C)c2c1NC(=O)CC2c1ncccc1F
InChIInChI=1S/C16H19FN4O/c1-16(2,3)14-12-9(13-10(17)6-5-7-18-13)8-11(22)19-15(12)21(4)20-14/h5-7,9H,8H2,1-4H3,(H,19,22)
InChIKeyXJENBFNMARWDTH-UHFFFAOYSA-N
XLogP2.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-tert-butyl-4-(1H-imidazol-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136810369
(4R)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737748
(4S)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737749
3-tert-butyl-1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135987072
(4S)-3-tert-butyl-1-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136820500
(4R)-4-(3-tert-butyl-1H-pyrazol-5-yl)-1-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136821293
(4R)-4-(4-fluorophenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136892937
4-(3-chloro-5-fluorophenyl)-1-methyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171389191
1-methyl-3-propan-2-yl-4-quinolin-7-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169419400
(4S)-3-tert-butyl-4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136882270
(7R)-7-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51721364
3-amino-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135981410

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-(3-fluoro-2-pyridinyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-tert-butyl-4-(3-fluoro-2-pyridinyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 171387890) is 3-tert-butyl-4-(3-fluoro-2-pyridinyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-tert-butyl-4-(3-fluoro-2-pyridinyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-tert-butyl-4-(3-fluoro-2-pyridinyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cn1nc(C(C)(C)C)c2c1NC(=O)CC2c1ncccc1F.
What is the InChIKey of 3-tert-butyl-4-(3-fluoro-2-pyridinyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is XJENBFNMARWDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-16(2,3)14-12-9(13-10(17)6-5-7-18-13)8-11(22)19-15(12)21(4)20-14/h5-7,9H,8H2,1-4H3,(H,19,22).
What are the key properties of 3-tert-butyl-4-(3-fluoro-2-pyridinyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
3-tert-butyl-4-(3-fluoro-2-pyridinyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 302.35 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-(3-fluoro-2-pyridinyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 171387890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).