8-(5-amino-6-fluoro-3-pyridinyl)-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

C23H22FN7O — CID 59619683

IUPAC8-(5-amino-6-fluoro-3-pyridinyl)-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCc1nn(C(C)C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc(F)c(N)c4)cc3c21
InChIInChI=1S/C23H22FN7O/c1-12(2)30-11-20(13(3)28-30)31-21-16-7-14(15-8-17(25)22(24)27-9-15)5-6-18(16)26-10-19(21)29(4)23(31)32/h5-12H,25H2,1-4H3
InChIKeySLOMYVIPZCMQRX-UHFFFAOYSA-N
MW431.48 g/mol
LogP3.75
Rot. Bonds3

About 8-(5-amino-6-fluoro-3-pyridinyl)-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

8-(5-amino-6-fluoro-3-pyridinyl)-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 59619683) has the molecular formula C23H22FN7O and a molecular weight of 431.48 g/mol. Its IUPAC name is 8-(5-amino-6-fluoro-3-pyridinyl)-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(5-amino-6-fluoro-3-pyridinyl)-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID59619683
Molecular FormulaC23H22FN7O
Molecular Weight431.48 g/mol
Exact Mass431.19
IUPAC Name8-(5-amino-6-fluoro-3-pyridinyl)-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCc1nn(C(C)C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc(F)c(N)c4)cc3c21
InChIInChI=1S/C23H22FN7O/c1-12(2)30-11-20(13(3)28-30)31-21-16-7-14(15-8-17(25)22(24)27-9-15)5-6-18(16)26-10-19(21)29(4)23(31)32/h5-12H,25H2,1-4H3
InChIKeySLOMYVIPZCMQRX-UHFFFAOYSA-N
XLogP3.75
TPSA96.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 8-(5-amino-6-fluoro-3-pyridinyl)-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]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 8-(5-amino-6-fluoro-3-pyridinyl)-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(5-amino-6-fluoro-3-pyridinyl)-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 59619683) is 8-(5-amino-6-fluoro-3-pyridinyl)-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(5-amino-6-fluoro-3-pyridinyl)-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(5-amino-6-fluoro-3-pyridinyl)-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is Cc1nn(C(C)C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc(F)c(N)c4)cc3c21.
What is the InChIKey of 8-(5-amino-6-fluoro-3-pyridinyl)-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is SLOMYVIPZCMQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O/c1-12(2)30-11-20(13(3)28-30)31-21-16-7-14(15-8-17(25)22(24)27-9-15)5-6-18(16)26-10-19(21)29(4)23(31)32/h5-12H,25H2,1-4H3.
What are the key properties of 8-(5-amino-6-fluoro-3-pyridinyl)-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
8-(5-amino-6-fluoro-3-pyridinyl)-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 431.48 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-amino-6-fluoro-3-pyridinyl)-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).