(2-fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone

C11H14FN3O — CID 126791079

IUPAC(2-fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
SMILESCC1(C(=O)N2CCCc3[nH]ncc32)CC1F
InChIInChI=1S/C11H14FN3O/c1-11(5-9(11)12)10(16)15-4-2-3-7-8(15)6-13-14-7/h6,9H,2-5H2,1H3,(H,13,14)
InChIKeyAKTXQZYTHJGAJL-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.44
Rot. Bonds1

About (2-fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone

(2-fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone (PubChem CID 126791079) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is (2-fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
PubChem CID126791079
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name(2-fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
SMILESCC1(C(=O)N2CCCc3[nH]ncc32)CC1F
InChIInChI=1S/C11H14FN3O/c1-11(5-9(11)12)10(16)15-4-2-3-7-8(15)6-13-14-7/h6,9H,2-5H2,1H3,(H,13,14)
InChIKeyAKTXQZYTHJGAJL-UHFFFAOYSA-N
XLogP1.44
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone with MolForge

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Related Compounds

tert-butyl 2H,4H,5H,6H,7H-pyrazolo[4,3-b]pyridine-4-carboxylate
CID 71299236
Pyrazolopiperidinone
CID 69129225
[(1R)-2,2-difluorocyclopropyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 164632703
1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone
CID 147392310
Trifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate
CID 155644253
Pyrazolopiperidinone hydrochloride
CID 129765333
[(3S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 120965655
3,3-Difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one
CID 126773974
(2,2-Difluorocyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 126790747
4-(1,5,6,7-Tetrahydropyrazolo[4,5-b]pyridine-4-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 128155445
1,5,6,7-Tetrahydropyrazolo[4,5-b]pyridin-4-yl-[4-(trifluoromethyl)cyclohexyl]methanone
CID 132299572
1,5,6,7-Tetrahydropyrazolo[4,5-b]pyridin-4-yl-[1-(trifluoromethyl)cyclobutyl]methanone
CID 132299654

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone?
The IUPAC name of (2-fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone (CID 126791079) is (2-fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone.
What is the SMILES notation for (2-fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone?
The canonical SMILES for (2-fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone is CC1(C(=O)N2CCCc3[nH]ncc32)CC1F.
What is the InChIKey of (2-fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone?
The InChIKey is AKTXQZYTHJGAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-11(5-9(11)12)10(16)15-4-2-3-7-8(15)6-13-14-7/h6,9H,2-5H2,1H3,(H,13,14).
What are the key properties of (2-fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone?
(2-fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone has a molecular weight of 223.25 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone is sourced from PubChem (CID 126791079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).