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

C24H26F2N4O4 — CID 142566449

IUPAC3-(3,4-difluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1c(Nc2c(-c3ccncc3OCC(C)(C)OC)[nH]c3c2C(=O)NCC3)ccc(F)c1F
InChIInChI=1S/C24H26F2N4O4/c1-24(2,33-4)12-34-17-11-27-9-7-13(17)20-21(18-15(29-20)8-10-28-23(18)31)30-16-6-5-14(25)19(26)22(16)32-3/h5-7,9,11,29-30H,8,10,12H2,1-4H3,(H,28,31)
InChIKeyVZXYWEYSVJGBOD-UHFFFAOYSA-N
MW472.49 g/mol
LogP4.20
Rot. Bonds8

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

3-(3,4-difluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 142566449) has the molecular formula C24H26F2N4O4 and a molecular weight of 472.49 g/mol. Its IUPAC name is 3-(3,4-difluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(3,4-difluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID142566449
Molecular FormulaC24H26F2N4O4
Molecular Weight472.49 g/mol
Exact Mass472.19
IUPAC Name3-(3,4-difluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1c(Nc2c(-c3ccncc3OCC(C)(C)OC)[nH]c3c2C(=O)NCC3)ccc(F)c1F
InChIInChI=1S/C24H26F2N4O4/c1-24(2,33-4)12-34-17-11-27-9-7-13(17)20-21(18-15(29-20)8-10-28-23(18)31)30-16-6-5-14(25)19(26)22(16)32-3/h5-7,9,11,29-30H,8,10,12H2,1-4H3,(H,28,31)
InChIKeyVZXYWEYSVJGBOD-UHFFFAOYSA-N
XLogP4.20
TPSA97.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(3,4-difluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(3,4-difluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 142566449) is 3-(3,4-difluoro-2-methoxyanilino)-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-(3,4-difluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(3,4-difluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is COc1c(Nc2c(-c3ccncc3OCC(C)(C)OC)[nH]c3c2C(=O)NCC3)ccc(F)c1F.
What is the InChIKey of 3-(3,4-difluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is VZXYWEYSVJGBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O4/c1-24(2,33-4)12-34-17-11-27-9-7-13(17)20-21(18-15(29-20)8-10-28-23(18)31)30-16-6-5-14(25)19(26)22(16)32-3/h5-7,9,11,29-30H,8,10,12H2,1-4H3,(H,28,31).
What are the key properties of 3-(3,4-difluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
3-(3,4-difluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 472.49 g/mol, XLogP of 4.20, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 142566449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).