1-(6-fluoro-4-methyl-3-pyridinyl)-3-methyl-8-(1-methylpyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinolin-2-one

C25H19FN6O — CID 59613083

IUPAC1-(6-fluoro-4-methyl-3-pyridinyl)-3-methyl-8-(1-methylpyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinolin-2-one
SMILESCc1cc(F)ncc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc5c(ccn5C)c4)cc3c21
InChIInChI=1S/C25H19FN6O/c1-14-8-22(26)28-12-20(14)32-23-18-10-15(17-9-16-6-7-30(2)24(16)29-11-17)4-5-19(18)27-13-21(23)31(3)25(32)33/h4-13H,1-3H3
InChIKeyUEOFIZMVYYVNDS-UHFFFAOYSA-N
MW438.47 g/mol
LogP4.27
Rot. Bonds2

About 1-(6-fluoro-4-methyl-3-pyridinyl)-3-methyl-8-(1-methylpyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinolin-2-one

1-(6-fluoro-4-methyl-3-pyridinyl)-3-methyl-8-(1-methylpyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 59613083) has the molecular formula C25H19FN6O and a molecular weight of 438.47 g/mol. Its IUPAC name is 1-(6-fluoro-4-methyl-3-pyridinyl)-3-methyl-8-(1-methylpyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(6-fluoro-4-methyl-3-pyridinyl)-3-methyl-8-(1-methylpyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID59613083
Molecular FormulaC25H19FN6O
Molecular Weight438.47 g/mol
Exact Mass438.16
IUPAC Name1-(6-fluoro-4-methyl-3-pyridinyl)-3-methyl-8-(1-methylpyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinolin-2-one
SMILESCc1cc(F)ncc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc5c(ccn5C)c4)cc3c21
InChIInChI=1S/C25H19FN6O/c1-14-8-22(26)28-12-20(14)32-23-18-10-15(17-9-16-6-7-30(2)24(16)29-11-17)4-5-19(18)27-13-21(23)31(3)25(32)33/h4-13H,1-3H3
InChIKeyUEOFIZMVYYVNDS-UHFFFAOYSA-N
XLogP4.27
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-4-methyl-3-pyridinyl)-3-methyl-8-(1-methylpyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(6-fluoro-4-methyl-3-pyridinyl)-3-methyl-8-(1-methylpyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinolin-2-one (CID 59613083) is 1-(6-fluoro-4-methyl-3-pyridinyl)-3-methyl-8-(1-methylpyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(6-fluoro-4-methyl-3-pyridinyl)-3-methyl-8-(1-methylpyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(6-fluoro-4-methyl-3-pyridinyl)-3-methyl-8-(1-methylpyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinolin-2-one is Cc1cc(F)ncc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc5c(ccn5C)c4)cc3c21.
What is the InChIKey of 1-(6-fluoro-4-methyl-3-pyridinyl)-3-methyl-8-(1-methylpyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is UEOFIZMVYYVNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6O/c1-14-8-22(26)28-12-20(14)32-23-18-10-15(17-9-16-6-7-30(2)24(16)29-11-17)4-5-19(18)27-13-21(23)31(3)25(32)33/h4-13H,1-3H3.
What are the key properties of 1-(6-fluoro-4-methyl-3-pyridinyl)-3-methyl-8-(1-methylpyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinolin-2-one?
1-(6-fluoro-4-methyl-3-pyridinyl)-3-methyl-8-(1-methylpyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 438.47 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-4-methyl-3-pyridinyl)-3-methyl-8-(1-methylpyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59613083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).