[(5S)-3-amino-2-(8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]carbamic acid

C19H23N5O3 — CID 138708049

IUPAC[(5S)-3-amino-2-(8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]carbamic acid
SMILESCc1cccc2c1NCCC2C(=O)n1nc2c(c1N)C[C@@H](NC(=O)O)CC2
InChIInChI=1S/C19H23N5O3/c1-10-3-2-4-12-13(7-8-21-16(10)12)18(25)24-17(20)14-9-11(22-19(26)27)5-6-15(14)23-24/h2-4,11,13,21-22H,5-9,20H2,1H3,(H,26,27)/t11-,13?/m0/s1
InChIKeyYMEJMEHRQANIKI-AMGKYWFPSA-N
MW369.43 g/mol
LogP2.14
Rot. Bonds2

About [(5S)-3-amino-2-(8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]carbamic acid

[(5S)-3-amino-2-(8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]carbamic acid (PubChem CID 138708049) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is [(5S)-3-amino-2-(8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]carbamic acid.

Molecular Properties

Compound Name[(5S)-3-amino-2-(8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]carbamic acid
PubChem CID138708049
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name[(5S)-3-amino-2-(8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]carbamic acid
SMILESCc1cccc2c1NCCC2C(=O)n1nc2c(c1N)C[C@@H](NC(=O)O)CC2
InChIInChI=1S/C19H23N5O3/c1-10-3-2-4-12-13(7-8-21-16(10)12)18(25)24-17(20)14-9-11(22-19(26)27)5-6-15(14)23-24/h2-4,11,13,21-22H,5-9,20H2,1H3,(H,26,27)/t11-,13?/m0/s1
InChIKeyYMEJMEHRQANIKI-AMGKYWFPSA-N
XLogP2.14
TPSA122.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [(5S)-3-amino-2-(8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]carbamic acid 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

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
CID 163691758
CID 163691758
(3-amino-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-2-yl)-[8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanone
CID 155330687
8-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 82276220
(8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)-(3,5-diamino-4,5,6,7-tetrahydroindazol-2-yl)methanone
CID 145408245
(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-[(4S)-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]methanone;bis((3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone)
CID 165105284
[(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-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-[(4S)-8-chloro-1,2,3,4-tetrahydroquinolin-4-yl]methanone;bis((3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(8-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone);(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(8-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 159155318
(3-amino-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(1,2,3,4-tetrahydro-1,7-naphthyridin-4-yl)methanone
CID 155330777
(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol
CID 145408187
[(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

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-amino-2-(8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]carbamic acid?
The IUPAC name of [(5S)-3-amino-2-(8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]carbamic acid (CID 138708049) is [(5S)-3-amino-2-(8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]carbamic acid.
What is the SMILES notation for [(5S)-3-amino-2-(8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]carbamic acid?
The canonical SMILES for [(5S)-3-amino-2-(8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]carbamic acid is Cc1cccc2c1NCCC2C(=O)n1nc2c(c1N)C[C@@H](NC(=O)O)CC2.
What is the InChIKey of [(5S)-3-amino-2-(8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]carbamic acid?
The InChIKey is YMEJMEHRQANIKI-AMGKYWFPSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-10-3-2-4-12-13(7-8-21-16(10)12)18(25)24-17(20)14-9-11(22-19(26)27)5-6-15(14)23-24/h2-4,11,13,21-22H,5-9,20H2,1H3,(H,26,27)/t11-,13?/m0/s1.
What are the key properties of [(5S)-3-amino-2-(8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]carbamic acid?
[(5S)-3-amino-2-(8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]carbamic acid has a molecular weight of 369.43 g/mol, XLogP of 2.14, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-amino-2-(8-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]carbamic acid is sourced from PubChem (CID 138708049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).