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

C18H22FN5O — CID 155316127

IUPAC(3-amino-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCCN1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc43)c2C1
InChIInChI=1S/C18H22FN5O/c1-2-23-8-6-13-16(10-23)24(22-17(13)20)18(25)12-5-7-21-15-4-3-11(19)9-14(12)15/h3-4,9,12,21H,2,5-8,10H2,1H3,(H2,20,22)
InChIKeyZZSHJGGVLDCXDM-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.22
Rot. Bonds2

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

(3-amino-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 155316127) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is (3-amino-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
PubChem CID155316127
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name(3-amino-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCCN1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc43)c2C1
InChIInChI=1S/C18H22FN5O/c1-2-23-8-6-13-16(10-23)24(22-17(13)20)18(25)12-5-7-21-15-4-3-11(19)9-14(12)15/h3-4,9,12,21H,2,5-8,10H2,1H3,(H2,20,22)
InChIKeyZZSHJGGVLDCXDM-UHFFFAOYSA-N
XLogP2.22
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The IUPAC name of (3-amino-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 155316127) is (3-amino-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone.
What is the SMILES notation for (3-amino-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The canonical SMILES for (3-amino-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone is CCN1CCc2c(N)nn(C(=O)C3CCNc4ccc(F)cc43)c2C1.
What is the InChIKey of (3-amino-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The InChIKey is ZZSHJGGVLDCXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-2-23-8-6-13-16(10-23)24(22-17(13)20)18(25)12-5-7-21-15-4-3-11(19)9-14(12)15/h3-4,9,12,21H,2,5-8,10H2,1H3,(H2,20,22).
What are the key properties of (3-amino-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?
(3-amino-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone has a molecular weight of 343.41 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl)-(6-fluoro-1,2,3,4-tetrahydroquinolin-4-yl)methanone is sourced from PubChem (CID 155316127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).