(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)methanone

C19H25N5O3S — CID 148714031

IUPAC(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)methanone
SMILESCC1(C)CC(C(=O)n2nc(N)c3c2CN(S(C)(=O)=O)CC3)c2ccccc2N1
InChIInChI=1S/C19H25N5O3S/c1-19(2)10-14(12-6-4-5-7-15(12)21-19)18(25)24-16-11-23(28(3,26)27)9-8-13(16)17(20)22-24/h4-7,14,21H,8-11H2,1-3H3,(H2,20,22)
InChIKeyNXTQWSMOLFJZFG-UHFFFAOYSA-N
MW403.51 g/mol
LogP1.80
Rot. Bonds2

About (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)methanone

(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)methanone (PubChem CID 148714031) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)methanone
PubChem CID148714031
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)methanone
SMILESCC1(C)CC(C(=O)n2nc(N)c3c2CN(S(C)(=O)=O)CC3)c2ccccc2N1
InChIInChI=1S/C19H25N5O3S/c1-19(2)10-14(12-6-4-5-7-15(12)21-19)18(25)24-16-11-23(28(3,26)27)9-8-13(16)17(20)22-24/h4-7,14,21H,8-11H2,1-3H3,(H2,20,22)
InChIKeyNXTQWSMOLFJZFG-UHFFFAOYSA-N
XLogP1.80
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)methanone with MolForge

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Related Compounds

(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)-[(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-N-methyl-1-(1,2,3,4-tetrahydroquinoline-4-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide
CID 155316390
(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
(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-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)-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 155163383
(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-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
(3-amino-2,3-dihydro-1H-inden-1-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 167769763
(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)methanol
CID 165026799
N-(3-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,2-diphenylacetamide
CID 67487807

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)methanone?
The IUPAC name of (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)methanone (CID 148714031) is (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)methanone.
What is the SMILES notation for (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)methanone?
The canonical SMILES for (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)methanone is CC1(C)CC(C(=O)n2nc(N)c3c2CN(S(C)(=O)=O)CC3)c2ccccc2N1.
What is the InChIKey of (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)methanone?
The InChIKey is NXTQWSMOLFJZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-19(2)10-14(12-6-4-5-7-15(12)21-19)18(25)24-16-11-23(28(3,26)27)9-8-13(16)17(20)22-24/h4-7,14,21H,8-11H2,1-3H3,(H2,20,22).
What are the key properties of (3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)methanone?
(3-amino-6-methylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)methanone has a molecular weight of 403.51 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 7 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)-(2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)methanone is sourced from PubChem (CID 148714031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).