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

C24H24FN7O — CID 59619944

IUPAC8-[5-fluoro-6-(methylamino)-3-pyridinyl]-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCNc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cn(C(C)C)nc2C)c(=O)n4C)cc1F
InChIInChI=1S/C24H24FN7O/c1-13(2)31-12-21(14(3)29-31)32-22-17-8-15(16-9-18(25)23(26-4)28-10-16)6-7-19(17)27-11-20(22)30(5)24(32)33/h6-13H,1-5H3,(H,26,28)
InChIKeyNMHSTFOUOYZVCA-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.21
Rot. Bonds4

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

8-[5-fluoro-6-(methylamino)-3-pyridinyl]-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 59619944) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is 8-[5-fluoro-6-(methylamino)-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-fluoro-6-(methylamino)-3-pyridinyl]-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID59619944
Molecular FormulaC24H24FN7O
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC Name8-[5-fluoro-6-(methylamino)-3-pyridinyl]-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCNc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cn(C(C)C)nc2C)c(=O)n4C)cc1F
InChIInChI=1S/C24H24FN7O/c1-13(2)31-12-21(14(3)29-31)32-22-17-8-15(16-9-18(25)23(26-4)28-10-16)6-7-19(17)27-11-20(22)30(5)24(32)33/h6-13H,1-5H3,(H,26,28)
InChIKeyNMHSTFOUOYZVCA-UHFFFAOYSA-N
XLogP4.21
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[5-fluoro-6-(methylamino)-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-fluoro-6-(methylamino)-3-pyridinyl]-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 59619944) is 8-[5-fluoro-6-(methylamino)-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-fluoro-6-(methylamino)-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-fluoro-6-(methylamino)-3-pyridinyl]-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is CNc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cn(C(C)C)nc2C)c(=O)n4C)cc1F.
What is the InChIKey of 8-[5-fluoro-6-(methylamino)-3-pyridinyl]-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is NMHSTFOUOYZVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O/c1-13(2)31-12-21(14(3)29-31)32-22-17-8-15(16-9-18(25)23(26-4)28-10-16)6-7-19(17)27-11-20(22)30(5)24(32)33/h6-13H,1-5H3,(H,26,28).
What are the key properties of 8-[5-fluoro-6-(methylamino)-3-pyridinyl]-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
8-[5-fluoro-6-(methylamino)-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 445.50 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-fluoro-6-(methylamino)-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 59619944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).