(3-amino-6-cyclopropylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone

C19H22FN5O3S — CID 146985416

IUPAC(3-amino-6-cyclopropylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESNc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CN(S(=O)(=O)C1CC1)CC2
InChIInChI=1S/C19H22FN5O3S/c20-11-1-4-16-15(9-11)13(5-7-22-16)19(26)25-18(21)14-6-8-24(10-17(14)23-25)29(27,28)12-2-3-12/h1,4,9,12-13,22H,2-3,5-8,10,21H2
InChIKeyAPDFQIOWBBCWDW-UHFFFAOYSA-N
MW419.48 g/mol
LogP1.69
Rot. Bonds3

About (3-amino-6-cyclopropylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone

(3-amino-6-cyclopropylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 146985416) has the molecular formula C19H22FN5O3S and a molecular weight of 419.48 g/mol. Its IUPAC name is (3-amino-6-cyclopropylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-6-cyclopropylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
PubChem CID146985416
Molecular FormulaC19H22FN5O3S
Molecular Weight419.48 g/mol
Exact Mass419.14
IUPAC Name(3-amino-6-cyclopropylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESNc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CN(S(=O)(=O)C1CC1)CC2
InChIInChI=1S/C19H22FN5O3S/c20-11-1-4-16-15(9-11)13(5-7-22-16)19(26)25-18(21)14-6-8-24(10-17(14)23-25)29(27,28)12-2-3-12/h1,4,9,12-13,22H,2-3,5-8,10,21H2
InChIKeyAPDFQIOWBBCWDW-UHFFFAOYSA-N
XLogP1.69
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3-amino-6-cyclopropylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-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-cyclopropylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The IUPAC name of (3-amino-6-cyclopropylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 146985416) is (3-amino-6-cyclopropylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone.
What is the SMILES notation for (3-amino-6-cyclopropylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The canonical SMILES for (3-amino-6-cyclopropylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone is Nc1c2c(nn1C(=O)C1CCNc3ccc(F)cc31)CN(S(=O)(=O)C1CC1)CC2.
What is the InChIKey of (3-amino-6-cyclopropylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The InChIKey is APDFQIOWBBCWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O3S/c20-11-1-4-16-15(9-11)13(5-7-22-16)19(26)25-18(21)14-6-8-24(10-17(14)23-25)29(27,28)12-2-3-12/h1,4,9,12-13,22H,2-3,5-8,10,21H2.
What are the key properties of (3-amino-6-cyclopropylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
(3-amino-6-cyclopropylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone has a molecular weight of 419.48 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-cyclopropylsulfonyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone is sourced from PubChem (CID 146985416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).