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

C19H24FN5O — CID 147174400

IUPAC(3-amino-6-propyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCCCN1CCc2c(nn(C(=O)C3CCNc4ccc(F)cc43)c2N)C1
InChIInChI=1S/C19H24FN5O/c1-2-8-24-9-6-14-17(11-24)23-25(18(14)21)19(26)13-5-7-22-16-4-3-12(20)10-15(13)16/h3-4,10,13,22H,2,5-9,11,21H2,1H3
InChIKeyBYIVOTSAQOTIOU-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.61
Rot. Bonds3

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

(3-amino-6-propyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 147174400) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is (3-amino-6-propyl-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-propyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
PubChem CID147174400
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name(3-amino-6-propyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCCCN1CCc2c(nn(C(=O)C3CCNc4ccc(F)cc43)c2N)C1
InChIInChI=1S/C19H24FN5O/c1-2-8-24-9-6-14-17(11-24)23-25(18(14)21)19(26)13-5-7-22-16-4-3-12(20)10-15(13)16/h3-4,10,13,22H,2,5-9,11,21H2,1H3
InChIKeyBYIVOTSAQOTIOU-UHFFFAOYSA-N
XLogP2.61
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-propyl-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-propyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 147174400) is (3-amino-6-propyl-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-propyl-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-propyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone is CCCN1CCc2c(nn(C(=O)C3CCNc4ccc(F)cc43)c2N)C1.
What is the InChIKey of (3-amino-6-propyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The InChIKey is BYIVOTSAQOTIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-2-8-24-9-6-14-17(11-24)23-25(18(14)21)19(26)13-5-7-22-16-4-3-12(20)10-15(13)16/h3-4,10,13,22H,2,5-9,11,21H2,1H3.
What are the key properties of (3-amino-6-propyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-2-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
(3-amino-6-propyl-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 357.43 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-propyl-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 147174400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).