(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol

C20H29FN4O2 — CID 145408187

IUPAC(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol
SMILESCC.CO.Nc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CCCC2
InChIInChI=1S/C17H19FN4O.C2H6.CH4O/c18-10-5-6-14-13(9-10)11(7-8-20-14)17(23)22-16(19)12-3-1-2-4-15(12)21-22;2*1-2/h5-6,9,11,20H,1-4,7-8,19H2;1-2H3;2H,1H3
InChIKeyFFTCENXZHDLDCL-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.36
Rot. Bonds1

About (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol

(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol (PubChem CID 145408187) has the molecular formula C20H29FN4O2 and a molecular weight of 376.48 g/mol. Its IUPAC name is (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol.

Molecular Properties

Compound Name(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol
PubChem CID145408187
Molecular FormulaC20H29FN4O2
Molecular Weight376.48 g/mol
Exact Mass376.23
IUPAC Name(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol
SMILESCC.CO.Nc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CCCC2
InChIInChI=1S/C17H19FN4O.C2H6.CH4O/c18-10-5-6-14-13(9-10)11(7-8-20-14)17(23)22-16(19)12-3-1-2-4-15(12)21-22;2*1-2/h5-6,9,11,20H,1-4,7-8,19H2;1-2H3;2H,1H3
InChIKeyFFTCENXZHDLDCL-UHFFFAOYSA-N
XLogP3.36
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol with MolForge

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Launch Full Analysis

Related Compounds

(3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 146712742
[(5R)-3-amino-5-methoxy-4,5,6,7-tetrahydroindazol-2-yl]-[(4S)-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl]methanone;bis([(5R)-3-amino-5-methoxy-4,5,6,7-tetrahydroindazol-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone);methane
CID 157370603
(3-amino-6-propyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 147174400
(3-amino-6-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 147872166
(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride
CID 159685737
[(6R)-3,6-diamino-4,5,6,7-tetrahydroindazol-2-yl]-(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 138708019
(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 158763929
(3-amino-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 155316127
(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone;methane;7-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;4,5,6,7-tetrahydro-1H-indazol-3-amine;hydrochloride
CID 157235547
[(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-1-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;[(5R)-3-amino-5-fluoro-4,5,6,7-tetrahydroindazol-2-yl]-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(5R)-5-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-amine;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;methane
CID 157348334
(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 155163383
(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine
CID 159292182

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol?
The IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol (CID 145408187) is (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol.
What is the SMILES notation for (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol?
The canonical SMILES for (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol is CC.CO.Nc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CCCC2.
What is the InChIKey of (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol?
The InChIKey is FFTCENXZHDLDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O.C2H6.CH4O/c18-10-5-6-14-13(9-10)11(7-8-20-14)17(23)22-16(19)12-3-1-2-4-15(12)21-22;2*1-2/h5-6,9,11,20H,1-4,7-8,19H2;1-2H3;2H,1H3.
What are the key properties of (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol?
(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol has a molecular weight of 376.48 g/mol, XLogP of 3.36, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol is sourced from PubChem (CID 145408187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).