(8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)-(3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl)methanone

C17H19ClFN5O — CID 145408245

IUPAC(8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)-(3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl)methanone
SMILESNc1c2c(nn1C(=O)C1CCNc3c(Cl)cc(F)cc31)CCC(N)C2
InChIInChI=1S/C17H19ClFN5O/c18-13-6-8(19)5-11-10(3-4-22-15(11)13)17(25)24-16(21)12-7-9(20)1-2-14(12)23-24/h5-6,9-10,22H,1-4,7,20-21H2
InChIKeyOLXQPIQHFHQREI-UHFFFAOYSA-N
MW363.82 g/mol
LogP2.31
Rot. Bonds1

About (8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)-(3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl)methanone

(8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)-(3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl)methanone (PubChem CID 145408245) has the molecular formula C17H19ClFN5O and a molecular weight of 363.82 g/mol. Its IUPAC name is (8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)-(3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl)methanone.

Molecular Properties

Compound Name(8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)-(3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl)methanone
PubChem CID145408245
Molecular FormulaC17H19ClFN5O
Molecular Weight363.82 g/mol
Exact Mass363.13
IUPAC Name(8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)-(3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl)methanone
SMILESNc1c2c(nn1C(=O)C1CCNc3c(Cl)cc(F)cc31)CCC(N)C2
InChIInChI=1S/C17H19ClFN5O/c18-13-6-8(19)5-11-10(3-4-22-15(11)13)17(25)24-16(21)12-7-9(20)1-2-14(12)23-24/h5-6,9-10,22H,1-4,7,20-21H2
InChIKeyOLXQPIQHFHQREI-UHFFFAOYSA-N
XLogP2.31
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)-(3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-amino-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-(6-fluoro-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 155330724
[(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
CID 163691758
CID 163691758
(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
(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol
CID 145408187
benzyl N-[(5S)-3-amino-2-[(4R)-8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl]-4,5,6,7-tetrahydroindazol-5-yl]carbamate;[(5S)-3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl]-[(4R)-8-methyl-1,2,3,4-tetrahydroquinolin-4-yl]methanone
CID 158290056
(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 155330708
[(5S)-3-amino-2-(8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]carbamic acid
CID 138708049
(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
[(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
8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 131050920
(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

Frequently Asked Questions

What is the IUPAC name of (8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)-(3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl)methanone?
The IUPAC name of (8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)-(3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl)methanone (CID 145408245) is (8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)-(3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl)methanone.
What is the SMILES notation for (8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)-(3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl)methanone?
The canonical SMILES for (8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)-(3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl)methanone is Nc1c2c(nn1C(=O)C1CCNc3c(Cl)cc(F)cc31)CCC(N)C2.
What is the InChIKey of (8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)-(3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl)methanone?
The InChIKey is OLXQPIQHFHQREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O/c18-13-6-8(19)5-11-10(3-4-22-15(11)13)17(25)24-16(21)12-7-9(20)1-2-14(12)23-24/h5-6,9-10,22H,1-4,7,20-21H2.
What are the key properties of (8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)-(3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl)methanone?
(8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)-(3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl)methanone has a molecular weight of 363.82 g/mol, XLogP of 2.31, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)-(3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl)methanone is sourced from PubChem (CID 145408245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).