10-[5-fluoro-2-(hydroxymethyl)-3-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one

C25H24FN5O3 — CID 134263462

IUPAC10-[5-fluoro-2-(hydroxymethyl)-3-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one
SMILESCC1(C)Cc2cc3n(c2C1)CCN(c1cc(F)cc(-c2ccnc4[nH]c(=O)[nH]c24)c1CO)C3=O
InChIInChI=1S/C25H24FN5O3/c1-25(2)10-13-7-19-23(33)31(6-5-30(19)20(13)11-25)18-9-14(26)8-16(17(18)12-32)15-3-4-27-22-21(15)28-24(34)29-22/h3-4,7-9,32H,5-6,10-12H2,1-2H3,(H2,27,28,29,34)
InChIKeyNLQFNCXYSDJVDX-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.14
Rot. Bonds3

About 10-[5-fluoro-2-(hydroxymethyl)-3-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one

10-[5-fluoro-2-(hydroxymethyl)-3-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one (PubChem CID 134263462) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is 10-[5-fluoro-2-(hydroxymethyl)-3-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one.

Molecular Properties

Compound Name10-[5-fluoro-2-(hydroxymethyl)-3-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one
PubChem CID134263462
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Name10-[5-fluoro-2-(hydroxymethyl)-3-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one
SMILESCC1(C)Cc2cc3n(c2C1)CCN(c1cc(F)cc(-c2ccnc4[nH]c(=O)[nH]c24)c1CO)C3=O
InChIInChI=1S/C25H24FN5O3/c1-25(2)10-13-7-19-23(33)31(6-5-30(19)20(13)11-25)18-9-14(26)8-16(17(18)12-32)15-3-4-27-22-21(15)28-24(34)29-22/h3-4,7-9,32H,5-6,10-12H2,1-2H3,(H2,27,28,29,34)
InChIKeyNLQFNCXYSDJVDX-UHFFFAOYSA-N
XLogP3.14
TPSA107.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 10-[5-fluoro-2-(hydroxymethyl)-3-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[5-fluoro-2-(hydroxymethyl)-3-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one?
The IUPAC name of 10-[5-fluoro-2-(hydroxymethyl)-3-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one (CID 134263462) is 10-[5-fluoro-2-(hydroxymethyl)-3-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one.
What is the SMILES notation for 10-[5-fluoro-2-(hydroxymethyl)-3-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one?
The canonical SMILES for 10-[5-fluoro-2-(hydroxymethyl)-3-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one is CC1(C)Cc2cc3n(c2C1)CCN(c1cc(F)cc(-c2ccnc4[nH]c(=O)[nH]c24)c1CO)C3=O.
What is the InChIKey of 10-[5-fluoro-2-(hydroxymethyl)-3-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one?
The InChIKey is NLQFNCXYSDJVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-25(2)10-13-7-19-23(33)31(6-5-30(19)20(13)11-25)18-9-14(26)8-16(17(18)12-32)15-3-4-27-22-21(15)28-24(34)29-22/h3-4,7-9,32H,5-6,10-12H2,1-2H3,(H2,27,28,29,34).
What are the key properties of 10-[5-fluoro-2-(hydroxymethyl)-3-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one?
10-[5-fluoro-2-(hydroxymethyl)-3-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one has a molecular weight of 461.50 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-fluoro-2-(hydroxymethyl)-3-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one is sourced from PubChem (CID 134263462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).