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

C21H21FN6O — CID 147872166

IUPAC(3-amino-6-pyridin-2-yl-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(c1ccccn1)CC2
InChIInChI=1S/C21H21FN6O/c22-13-4-5-17-16(11-13)14(6-9-24-17)21(29)28-20(23)15-7-10-27(12-18(15)26-28)19-3-1-2-8-25-19/h1-5,8,11,14,24H,6-7,9-10,12,23H2
InChIKeyHYVATYXUGLBXGM-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.80
Rot. Bonds2

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

(3-amino-6-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 147872166) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is (3-amino-6-pyridin-2-yl-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-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
PubChem CID147872166
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name(3-amino-6-pyridin-2-yl-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(c1ccccn1)CC2
InChIInChI=1S/C21H21FN6O/c22-13-4-5-17-16(11-13)14(6-9-24-17)21(29)28-20(23)15-7-10-27(12-18(15)26-28)19-3-1-2-8-25-19/h1-5,8,11,14,24H,6-7,9-10,12,23H2
InChIKeyHYVATYXUGLBXGM-UHFFFAOYSA-N
XLogP2.80
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3-amino-6-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 147872166) is (3-amino-6-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-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(c1ccccn1)CC2.
What is the InChIKey of (3-amino-6-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The InChIKey is HYVATYXUGLBXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c22-13-4-5-17-16(11-13)14(6-9-24-17)21(29)28-20(23)15-7-10-27(12-18(15)26-28)19-3-1-2-8-25-19/h1-5,8,11,14,24H,6-7,9-10,12,23H2.
What are the key properties of (3-amino-6-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
(3-amino-6-pyridin-2-yl-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 392.44 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-pyridin-2-yl-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 147872166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).