5-(8-fluoro-4-oxo-1H-quinoline-2-carbonyl)-N,N-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide

C19H22FN5O3 — CID 134127414

IUPAC5-(8-fluoro-4-oxo-1H-quinoline-2-carbonyl)-N,N-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)C1NNC2CCN(C(=O)c3cc(=O)c4cccc(F)c4[nH]3)CC21
InChIInChI=1S/C19H22FN5O3/c1-24(2)19(28)17-11-9-25(7-6-13(11)22-23-17)18(27)14-8-15(26)10-4-3-5-12(20)16(10)21-14/h3-5,8,11,13,17,22-23H,6-7,9H2,1-2H3,(H,21,26)
InChIKeyIQAFHEJLRAFTRG-UHFFFAOYSA-N
MW387.42 g/mol
LogP0.06
Rot. Bonds2

About 5-(8-fluoro-4-oxo-1H-quinoline-2-carbonyl)-N,N-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-(8-fluoro-4-oxo-1H-quinoline-2-carbonyl)-N,N-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 134127414) has the molecular formula C19H22FN5O3 and a molecular weight of 387.42 g/mol. Its IUPAC name is 5-(8-fluoro-4-oxo-1H-quinoline-2-carbonyl)-N,N-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(8-fluoro-4-oxo-1H-quinoline-2-carbonyl)-N,N-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID134127414
Molecular FormulaC19H22FN5O3
Molecular Weight387.42 g/mol
Exact Mass387.17
IUPAC Name5-(8-fluoro-4-oxo-1H-quinoline-2-carbonyl)-N,N-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)C1NNC2CCN(C(=O)c3cc(=O)c4cccc(F)c4[nH]3)CC21
InChIInChI=1S/C19H22FN5O3/c1-24(2)19(28)17-11-9-25(7-6-13(11)22-23-17)18(27)14-8-15(26)10-4-3-5-12(20)16(10)21-14/h3-5,8,11,13,17,22-23H,6-7,9H2,1-2H3,(H,21,26)
InChIKeyIQAFHEJLRAFTRG-UHFFFAOYSA-N
XLogP0.06
TPSA97.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(8-fluoro-4-oxo-1H-quinoline-2-carbonyl)-N,N-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(8-fluoro-4-oxo-1H-quinoline-2-carbonyl)-N,N-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(8-fluoro-4-oxo-1H-quinoline-2-carbonyl)-N,N-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 134127414) is 5-(8-fluoro-4-oxo-1H-quinoline-2-carbonyl)-N,N-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(8-fluoro-4-oxo-1H-quinoline-2-carbonyl)-N,N-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(8-fluoro-4-oxo-1H-quinoline-2-carbonyl)-N,N-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide is CN(C)C(=O)C1NNC2CCN(C(=O)c3cc(=O)c4cccc(F)c4[nH]3)CC21.
What is the InChIKey of 5-(8-fluoro-4-oxo-1H-quinoline-2-carbonyl)-N,N-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is IQAFHEJLRAFTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O3/c1-24(2)19(28)17-11-9-25(7-6-13(11)22-23-17)18(27)14-8-15(26)10-4-3-5-12(20)16(10)21-14/h3-5,8,11,13,17,22-23H,6-7,9H2,1-2H3,(H,21,26).
What are the key properties of 5-(8-fluoro-4-oxo-1H-quinoline-2-carbonyl)-N,N-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-(8-fluoro-4-oxo-1H-quinoline-2-carbonyl)-N,N-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-fluoro-4-oxo-1H-quinoline-2-carbonyl)-N,N-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 134127414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).