(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

C18H22FN5O4S — CID 155330708

IUPAC(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
SMILESCOc1cc(F)cc2c1NCCC2C(=O)n1nc2c(c1N)CCN(S(C)(=O)=O)C2
InChIInChI=1S/C18H22FN5O4S/c1-28-15-8-10(19)7-13-11(3-5-21-16(13)15)18(25)24-17(20)12-4-6-23(29(2,26)27)9-14(12)22-24/h7-8,11,21H,3-6,9,20H2,1-2H3
InChIKeyZCQNEHRDORRYEZ-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.17
Rot. Bonds3

About (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

(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 (PubChem CID 155330708) has the molecular formula C18H22FN5O4S and a molecular weight of 423.47 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID155330708
Molecular FormulaC18H22FN5O4S
Molecular Weight423.47 g/mol
Exact Mass423.14
IUPAC Name(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
SMILESCOc1cc(F)cc2c1NCCC2C(=O)n1nc2c(c1N)CCN(S(C)(=O)=O)C2
InChIInChI=1S/C18H22FN5O4S/c1-28-15-8-10(19)7-13-11(3-5-21-16(13)15)18(25)24-17(20)12-4-6-23(29(2,26)27)9-14(12)22-24/h7-8,11,21H,3-6,9,20H2,1-2H3
InChIKeyZCQNEHRDORRYEZ-UHFFFAOYSA-N
XLogP1.17
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(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
(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
(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[5,4-c]pyridin-1-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 155163300
(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;(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone;8-methoxy-1,2,3,4-tetrahydroquinoline-4-carboxylic acid;6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine
CID 161235447
(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-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
(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-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;ethane;methanol
CID 145408187
(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-6-propan-2-ylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 147732137
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cc(F)cc2c1NCCC2C(=O)n1nc2c(c1N)CCN(S(C)(=O)=O)C2.
What is the InChIKey of (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?
The InChIKey is ZCQNEHRDORRYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O4S/c1-28-15-8-10(19)7-13-11(3-5-21-16(13)15)18(25)24-17(20)12-4-6-23(29(2,26)27)9-14(12)22-24/h7-8,11,21H,3-6,9,20H2,1-2H3.
What are the key properties of (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?
(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 has a molecular weight of 423.47 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 155330708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).