1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone

C11H18FN5O — CID 147392310

IUPAC1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone
SMILESCNNCC(=O)N1CCCc2c1cnn2C(C)F
InChIInChI=1S/C11H18FN5O/c1-8(12)17-9-4-3-5-16(10(9)6-15-17)11(18)7-14-13-2/h6,8,13-14H,3-5,7H2,1-2H3
InChIKeyDNCOIJHZHSDYRX-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.37
Rot. Bonds4

About 1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone

1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone (PubChem CID 147392310) has the molecular formula C11H18FN5O and a molecular weight of 255.30 g/mol. Its IUPAC name is 1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone.

Molecular Properties

Compound Name1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone
PubChem CID147392310
Molecular FormulaC11H18FN5O
Molecular Weight255.30 g/mol
Exact Mass255.15
IUPAC Name1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone
SMILESCNNCC(=O)N1CCCc2c1cnn2C(C)F
InChIInChI=1S/C11H18FN5O/c1-8(12)17-9-4-3-5-16(10(9)6-15-17)11(18)7-14-13-2/h6,8,13-14H,3-5,7H2,1-2H3
InChIKeyDNCOIJHZHSDYRX-UHFFFAOYSA-N
XLogP0.37
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(3S)-4-(4-amino-5-methylpyrazol-1-yl)-3-fluoropiperidin-1-yl]ethanone
CID 146552640
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104700568
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 107462971
3,3-Difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one
CID 126773974
(2-Fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 126791079
2-[Methyl(2,2,2-trifluoroethyl)amino]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one
CID 146085803
2-Chloro-2-fluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone
CID 166427815
1-[5-(difluoromethyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-fluoroprop-2-en-1-one
CID 167982328
1-(1,5,6,7-Tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone
CID 20784623
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetamide
CID 58464816
2-Methyl-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one
CID 58591099
1-[4-[(1,3-Diethylpyrazol-4-yl)amino]piperidin-1-yl]ethanone
CID 69786207

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone?
The IUPAC name of 1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone (CID 147392310) is 1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone.
What is the SMILES notation for 1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone?
The canonical SMILES for 1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone is CNNCC(=O)N1CCCc2c1cnn2C(C)F.
What is the InChIKey of 1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone?
The InChIKey is DNCOIJHZHSDYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5O/c1-8(12)17-9-4-3-5-16(10(9)6-15-17)11(18)7-14-13-2/h6,8,13-14H,3-5,7H2,1-2H3.
What are the key properties of 1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone?
1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone has a molecular weight of 255.30 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone is sourced from PubChem (CID 147392310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).