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

C23H24F2N4O3 — CID 142566495

IUPAC3-(3,5-difluoroanilino)-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(c1Nc1cc(F)cc(F)c1)C(=O)NCC2
InChIInChI=1S/C23H24F2N4O3/c1-23(2,31-3)12-32-18-11-26-6-4-16(18)20-21(19-17(29-20)5-7-27-22(19)30)28-15-9-13(24)8-14(25)10-15/h4,6,8-11,28-29H,5,7,12H2,1-3H3,(H,27,30)
InChIKeyHVULZMNPUCJALT-UHFFFAOYSA-N
MW442.47 g/mol
LogP4.19
Rot. Bonds7

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

3-(3,5-difluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 142566495) has the molecular formula C23H24F2N4O3 and a molecular weight of 442.47 g/mol. Its IUPAC name is 3-(3,5-difluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(3,5-difluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID142566495
Molecular FormulaC23H24F2N4O3
Molecular Weight442.47 g/mol
Exact Mass442.18
IUPAC Name3-(3,5-difluoroanilino)-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(c1Nc1cc(F)cc(F)c1)C(=O)NCC2
InChIInChI=1S/C23H24F2N4O3/c1-23(2,31-3)12-32-18-11-26-6-4-16(18)20-21(19-17(29-20)5-7-27-22(19)30)28-15-9-13(24)8-14(25)10-15/h4,6,8-11,28-29H,5,7,12H2,1-3H3,(H,27,30)
InChIKeyHVULZMNPUCJALT-UHFFFAOYSA-N
XLogP4.19
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(3,5-difluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 142566495) is 3-(3,5-difluoroanilino)-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-(3,5-difluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(3,5-difluoroanilino)-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(c1Nc1cc(F)cc(F)c1)C(=O)NCC2.
What is the InChIKey of 3-(3,5-difluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is HVULZMNPUCJALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O3/c1-23(2,31-3)12-32-18-11-26-6-4-16(18)20-21(19-17(29-20)5-7-27-22(19)30)28-15-9-13(24)8-14(25)10-15/h4,6,8-11,28-29H,5,7,12H2,1-3H3,(H,27,30).
What are the key properties of 3-(3,5-difluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
3-(3,5-difluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 442.47 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoroanilino)-2-[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 142566495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).