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

C16H16FN5O — CID 123811866

IUPAC7-(3-amino-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-fluoro-1H-quinolin-2-one
SMILESCn1nc2c(c1N)CN(c1ccc3cc(F)c(=O)[nH]c3c1)CC2
InChIInChI=1S/C16H16FN5O/c1-21-15(18)11-8-22(5-4-13(11)20-21)10-3-2-9-6-12(17)16(23)19-14(9)7-10/h2-3,6-7H,4-5,8,18H2,1H3,(H,19,23)
InChIKeyFMQQSKXKIBJVPI-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.55
Rot. Bonds1

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

7-(3-amino-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-fluoro-1H-quinolin-2-one (PubChem CID 123811866) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 7-(3-amino-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(3-amino-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-fluoro-1H-quinolin-2-one
PubChem CID123811866
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name7-(3-amino-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-fluoro-1H-quinolin-2-one
SMILESCn1nc2c(c1N)CN(c1ccc3cc(F)c(=O)[nH]c3c1)CC2
InChIInChI=1S/C16H16FN5O/c1-21-15(18)11-8-22(5-4-13(11)20-21)10-3-2-9-6-12(17)16(23)19-14(9)7-10/h2-3,6-7H,4-5,8,18H2,1H3,(H,19,23)
InChIKeyFMQQSKXKIBJVPI-UHFFFAOYSA-N
XLogP1.55
TPSA79.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(3-amino-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-fluoro-1H-quinolin-2-one 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 7-(3-amino-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-fluoro-1H-quinolin-2-one?
The IUPAC name of 7-(3-amino-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-fluoro-1H-quinolin-2-one (CID 123811866) is 7-(3-amino-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 7-(3-amino-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-fluoro-1H-quinolin-2-one?
The canonical SMILES for 7-(3-amino-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-fluoro-1H-quinolin-2-one is Cn1nc2c(c1N)CN(c1ccc3cc(F)c(=O)[nH]c3c1)CC2.
What is the InChIKey of 7-(3-amino-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-fluoro-1H-quinolin-2-one?
The InChIKey is FMQQSKXKIBJVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-21-15(18)11-8-22(5-4-13(11)20-21)10-3-2-9-6-12(17)16(23)19-14(9)7-10/h2-3,6-7H,4-5,8,18H2,1H3,(H,19,23).
What are the key properties of 7-(3-amino-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-fluoro-1H-quinolin-2-one?
7-(3-amino-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-fluoro-1H-quinolin-2-one has a molecular weight of 313.34 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 123811866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).