3-(3-fluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C23H25FN4O3 — CID 142566544

IUPAC3-(3-fluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOC(C)(C)COc1cnccc1-c1[nH]c2c(c1Nc1cccc(F)c1)C(=O)NCC2
InChIInChI=1S/C23H25FN4O3/c1-23(2,30-3)13-31-18-12-25-9-7-16(18)20-21(27-15-6-4-5-14(24)11-15)19-17(28-20)8-10-26-22(19)29/h4-7,9,11-12,27-28H,8,10,13H2,1-3H3,(H,26,29)
InChIKeyGEWXWRSAUBATRF-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.05
Rot. Bonds7

About 3-(3-fluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

3-(3-fluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 142566544) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(3-fluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID142566544
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name3-(3-fluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOC(C)(C)COc1cnccc1-c1[nH]c2c(c1Nc1cccc(F)c1)C(=O)NCC2
InChIInChI=1S/C23H25FN4O3/c1-23(2,30-3)13-31-18-12-25-9-7-16(18)20-21(27-15-6-4-5-14(24)11-15)19-17(28-20)8-10-26-22(19)29/h4-7,9,11-12,27-28H,8,10,13H2,1-3H3,(H,26,29)
InChIKeyGEWXWRSAUBATRF-UHFFFAOYSA-N
XLogP4.05
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(3-fluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-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 3-(3-fluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(3-fluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 142566544) is 3-(3-fluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(3-fluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(3-fluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is COC(C)(C)COc1cnccc1-c1[nH]c2c(c1Nc1cccc(F)c1)C(=O)NCC2.
What is the InChIKey of 3-(3-fluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is GEWXWRSAUBATRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-23(2,30-3)13-31-18-12-25-9-7-16(18)20-21(27-15-6-4-5-14(24)11-15)19-17(28-20)8-10-26-22(19)29/h4-7,9,11-12,27-28H,8,10,13H2,1-3H3,(H,26,29).
What are the key properties of 3-(3-fluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
3-(3-fluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 424.48 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 142566544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).