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

C10H11F2N3O — CID 164632703

IUPAC[(1R)-2,2-difluorocyclopropyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
SMILESO=C([C@H]1CC1(F)F)N1CCCc2[nH]ncc21
InChIInChI=1S/C10H11F2N3O/c11-10(12)4-6(10)9(16)15-3-1-2-7-8(15)5-13-14-7/h5-6H,1-4H2,(H,13,14)/t6-/m1/s1
InChIKeyDZXBSJILMKSSDS-ZCFIWIBFSA-N
MW227.21 g/mol
LogP1.34
Rot. Bonds1

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

[(1R)-2,2-difluorocyclopropyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone (PubChem CID 164632703) has the molecular formula C10H11F2N3O and a molecular weight of 227.21 g/mol. Its IUPAC name is [(1R)-2,2-difluorocyclopropyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name[(1R)-2,2-difluorocyclopropyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
PubChem CID164632703
Molecular FormulaC10H11F2N3O
Molecular Weight227.21 g/mol
Exact Mass227.09
IUPAC Name[(1R)-2,2-difluorocyclopropyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
SMILESO=C([C@H]1CC1(F)F)N1CCCc2[nH]ncc21
InChIInChI=1S/C10H11F2N3O/c11-10(12)4-6(10)9(16)15-3-1-2-7-8(15)5-13-14-7/h5-6H,1-4H2,(H,13,14)/t6-/m1/s1
InChIKeyDZXBSJILMKSSDS-ZCFIWIBFSA-N
XLogP1.34
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1R)-2,2-difluorocyclopropyl]-(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
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
(2-Fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 126791079
2-[3-(1,5,6,7-Tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 126824153
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 [(1R)-2,2-difluorocyclopropyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone?
The IUPAC name of [(1R)-2,2-difluorocyclopropyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone (CID 164632703) is [(1R)-2,2-difluorocyclopropyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone.
What is the SMILES notation for [(1R)-2,2-difluorocyclopropyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone?
The canonical SMILES for [(1R)-2,2-difluorocyclopropyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone is O=C([C@H]1CC1(F)F)N1CCCc2[nH]ncc21.
What is the InChIKey of [(1R)-2,2-difluorocyclopropyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone?
The InChIKey is DZXBSJILMKSSDS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11F2N3O/c11-10(12)4-6(10)9(16)15-3-1-2-7-8(15)5-13-14-7/h5-6H,1-4H2,(H,13,14)/t6-/m1/s1.
What are the key properties of [(1R)-2,2-difluorocyclopropyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone?
[(1R)-2,2-difluorocyclopropyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone has a molecular weight of 227.21 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2-difluorocyclopropyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone is sourced from PubChem (CID 164632703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).