(5,7-difluoroquinolin-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

C16H12F2N4O — CID 167785735

IUPAC(5,7-difluoroquinolin-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1ccc2c(F)cc(F)cc2n1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C16H12F2N4O/c17-10-5-12(18)11-1-2-14(20-15(11)6-10)16(23)22-4-3-13-9(8-22)7-19-21-13/h1-2,5-7H,3-4,8H2,(H,19,21)
InChIKeyHVJISWKSGHANBS-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.43
Rot. Bonds1

About (5,7-difluoroquinolin-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

(5,7-difluoroquinolin-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 167785735) has the molecular formula C16H12F2N4O and a molecular weight of 314.30 g/mol. Its IUPAC name is (5,7-difluoroquinolin-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(5,7-difluoroquinolin-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID167785735
Molecular FormulaC16H12F2N4O
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name(5,7-difluoroquinolin-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1ccc2c(F)cc(F)cc2n1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C16H12F2N4O/c17-10-5-12(18)11-1-2-14(20-15(11)6-10)16(23)22-4-3-13-9(8-22)7-19-21-13/h1-2,5-7H,3-4,8H2,(H,19,21)
InChIKeyHVJISWKSGHANBS-UHFFFAOYSA-N
XLogP2.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5,7-difluoroquinolin-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

(7-fluoro-3-methyl-1-benzofuran-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 42290505
1H-indol-2-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 139328420
1H-indazol-7-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859698
1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one
CID 75377385
1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-[4-(trifluoromethylsulfanyl)phenyl]methanone
CID 86859783
[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-bicyclo[2.2.2]octanyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 166234515
trifluoromethyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
CID 153306399
[2-(4-chloro-2-fluorophenyl)cyclobutyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 146092021
1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-(4,6,7-trimethoxy-1H-indol-2-yl)methanone
CID 86859664
(3-bromo-2-chlorophenyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 75518637
[1-(2,4-dichlorophenyl)pyrazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859603
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 129379310

Frequently Asked Questions

What is the IUPAC name of (5,7-difluoroquinolin-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (5,7-difluoroquinolin-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (CID 167785735) is (5,7-difluoroquinolin-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (5,7-difluoroquinolin-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (5,7-difluoroquinolin-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is O=C(c1ccc2c(F)cc(F)cc2n1)N1CCc2[nH]ncc2C1.
What is the InChIKey of (5,7-difluoroquinolin-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is HVJISWKSGHANBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O/c17-10-5-12(18)11-1-2-14(20-15(11)6-10)16(23)22-4-3-13-9(8-22)7-19-21-13/h1-2,5-7H,3-4,8H2,(H,19,21).
What are the key properties of (5,7-difluoroquinolin-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
(5,7-difluoroquinolin-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 314.30 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-difluoroquinolin-2-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 167785735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).