[(6R)-3,6-diamino-4,5,6,7-tetrahydroindazol-2-yl]-(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone

C18H23N5O — CID 138708019

IUPAC[(6R)-3,6-diamino-4,5,6,7-tetrahydroindazol-2-yl]-(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCc1ccc2c(c1)C(C(=O)n1nc3c(c1N)CC[C@@H](N)C3)CCN2
InChIInChI=1S/C18H23N5O/c1-10-2-5-15-14(8-10)12(6-7-21-15)18(24)23-17(20)13-4-3-11(19)9-16(13)22-23/h2,5,8,11-12,21H,3-4,6-7,9,19-20H2,1H3/t11-,12?/m1/s1
InChIKeyFWSBTUISHCZORC-JHJMLUEUSA-N
MW325.42 g/mol
LogP1.83
Rot. Bonds1

About [(6R)-3,6-diamino-4,5,6,7-tetrahydroindazol-2-yl]-(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone

[(6R)-3,6-diamino-4,5,6,7-tetrahydroindazol-2-yl]-(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 138708019) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is [(6R)-3,6-diamino-4,5,6,7-tetrahydroindazol-2-yl]-(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(6R)-3,6-diamino-4,5,6,7-tetrahydroindazol-2-yl]-(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
PubChem CID138708019
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name[(6R)-3,6-diamino-4,5,6,7-tetrahydroindazol-2-yl]-(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCc1ccc2c(c1)C(C(=O)n1nc3c(c1N)CC[C@@H](N)C3)CCN2
InChIInChI=1S/C18H23N5O/c1-10-2-5-15-14(8-10)12(6-7-21-15)18(24)23-17(20)13-4-3-11(19)9-16(13)22-23/h2,5,8,11-12,21H,3-4,6-7,9,19-20H2,1H3/t11-,12?/m1/s1
InChIKeyFWSBTUISHCZORC-JHJMLUEUSA-N
XLogP1.83
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(6R)-3,6-diamino-4,5,6,7-tetrahydroindazol-2-yl]-(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol
CID 145408187
(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-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
(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
(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-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-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-(1,2,3,4-tetrahydro-1,7-naphthyridin-4-yl)methanone
CID 155330777
[(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
[(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-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 [(6R)-3,6-diamino-4,5,6,7-tetrahydroindazol-2-yl]-(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The IUPAC name of [(6R)-3,6-diamino-4,5,6,7-tetrahydroindazol-2-yl]-(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 138708019) is [(6R)-3,6-diamino-4,5,6,7-tetrahydroindazol-2-yl]-(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone.
What is the SMILES notation for [(6R)-3,6-diamino-4,5,6,7-tetrahydroindazol-2-yl]-(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The canonical SMILES for [(6R)-3,6-diamino-4,5,6,7-tetrahydroindazol-2-yl]-(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone is Cc1ccc2c(c1)C(C(=O)n1nc3c(c1N)CC[C@@H](N)C3)CCN2.
What is the InChIKey of [(6R)-3,6-diamino-4,5,6,7-tetrahydroindazol-2-yl]-(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The InChIKey is FWSBTUISHCZORC-JHJMLUEUSA-N. The full InChI is InChI=1S/C18H23N5O/c1-10-2-5-15-14(8-10)12(6-7-21-15)18(24)23-17(20)13-4-3-11(19)9-16(13)22-23/h2,5,8,11-12,21H,3-4,6-7,9,19-20H2,1H3/t11-,12?/m1/s1.
What are the key properties of [(6R)-3,6-diamino-4,5,6,7-tetrahydroindazol-2-yl]-(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
[(6R)-3,6-diamino-4,5,6,7-tetrahydroindazol-2-yl]-(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone has a molecular weight of 325.42 g/mol, XLogP of 1.83, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-3,6-diamino-4,5,6,7-tetrahydroindazol-2-yl]-(6-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone is sourced from PubChem (CID 138708019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).