(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

C18H23N5O4S — CID 155163300

IUPAC(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
SMILESCOc1cccc2c1NCCC2C(=O)n1nc(N)c2c1CN(S(C)(=O)=O)CC2
InChIInChI=1S/C18H23N5O4S/c1-27-15-5-3-4-11-12(6-8-20-16(11)15)18(24)23-14-10-22(28(2,25)26)9-7-13(14)17(19)21-23/h3-5,12,20H,6-10H2,1-2H3,(H2,19,21)
InChIKeyKHADBRGQACDTPI-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.03
Rot. Bonds3

About (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

(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 (PubChem CID 155163300) has the molecular formula C18H23N5O4S and a molecular weight of 405.48 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID155163300
Molecular FormulaC18H23N5O4S
Molecular Weight405.48 g/mol
Exact Mass405.15
IUPAC Name(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
SMILESCOc1cccc2c1NCCC2C(=O)n1nc(N)c2c1CN(S(C)(=O)=O)CC2
InChIInChI=1S/C18H23N5O4S/c1-27-15-5-3-4-11-12(6-8-20-16(11)15)18(24)23-14-10-22(28(2,25)26)9-7-13(14)17(19)21-23/h3-5,12,20H,6-10H2,1-2H3,(H2,19,21)
InChIKeyKHADBRGQACDTPI-UHFFFAOYSA-N
XLogP1.03
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cccc2c1NCCC2C(=O)n1nc(N)c2c1CN(S(C)(=O)=O)CC2.
What is the InChIKey of (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?
The InChIKey is KHADBRGQACDTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4S/c1-27-15-5-3-4-11-12(6-8-20-16(11)15)18(24)23-14-10-22(28(2,25)26)9-7-13(14)17(19)21-23/h3-5,12,20H,6-10H2,1-2H3,(H2,19,21).
What are the key properties of (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?
(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 has a molecular weight of 405.48 g/mol, XLogP of 1.03, 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[5,4-c]pyridin-1-yl)-(8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanone is sourced from PubChem (CID 155163300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).