1-acetyl-3-[1-[1-[4-(difluoromethoxy)-2-methylphenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one

C24H24F2N6O3 — CID 67311994

IUPAC1-acetyl-3-[1-[1-[4-(difluoromethoxy)-2-methylphenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
SMILESCC(=O)N1CCN(c2ccn(-c3cc(C)nc4c3CCN4c3ccc(OC(F)F)cc3C)n2)C1=O
InChIInChI=1S/C24H24F2N6O3/c1-14-12-17(35-23(25)26)4-5-19(14)30-8-6-18-20(13-15(2)27-22(18)30)32-9-7-21(28-32)31-11-10-29(16(3)33)24(31)34/h4-5,7,9,12-13,23H,6,8,10-11H2,1-3H3
InChIKeyLCVMJYUHFLXVGM-UHFFFAOYSA-N
MW482.49 g/mol
LogP3.97
Rot. Bonds5

About 1-acetyl-3-[1-[1-[4-(difluoromethoxy)-2-methylphenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one

1-acetyl-3-[1-[1-[4-(difluoromethoxy)-2-methylphenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one (PubChem CID 67311994) has the molecular formula C24H24F2N6O3 and a molecular weight of 482.49 g/mol. Its IUPAC name is 1-acetyl-3-[1-[1-[4-(difluoromethoxy)-2-methylphenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-acetyl-3-[1-[1-[4-(difluoromethoxy)-2-methylphenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
PubChem CID67311994
Molecular FormulaC24H24F2N6O3
Molecular Weight482.49 g/mol
Exact Mass482.19
IUPAC Name1-acetyl-3-[1-[1-[4-(difluoromethoxy)-2-methylphenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
SMILESCC(=O)N1CCN(c2ccn(-c3cc(C)nc4c3CCN4c3ccc(OC(F)F)cc3C)n2)C1=O
InChIInChI=1S/C24H24F2N6O3/c1-14-12-17(35-23(25)26)4-5-19(14)30-8-6-18-20(13-15(2)27-22(18)30)32-9-7-21(28-32)31-11-10-29(16(3)33)24(31)34/h4-5,7,9,12-13,23H,6,8,10-11H2,1-3H3
InChIKeyLCVMJYUHFLXVGM-UHFFFAOYSA-N
XLogP3.97
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-[1-[1-[4-(difluoromethoxy)-2-methylphenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one?
The IUPAC name of 1-acetyl-3-[1-[1-[4-(difluoromethoxy)-2-methylphenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one (CID 67311994) is 1-acetyl-3-[1-[1-[4-(difluoromethoxy)-2-methylphenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-acetyl-3-[1-[1-[4-(difluoromethoxy)-2-methylphenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-acetyl-3-[1-[1-[4-(difluoromethoxy)-2-methylphenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one is CC(=O)N1CCN(c2ccn(-c3cc(C)nc4c3CCN4c3ccc(OC(F)F)cc3C)n2)C1=O.
What is the InChIKey of 1-acetyl-3-[1-[1-[4-(difluoromethoxy)-2-methylphenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one?
The InChIKey is LCVMJYUHFLXVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O3/c1-14-12-17(35-23(25)26)4-5-19(14)30-8-6-18-20(13-15(2)27-22(18)30)32-9-7-21(28-32)31-11-10-29(16(3)33)24(31)34/h4-5,7,9,12-13,23H,6,8,10-11H2,1-3H3.
What are the key properties of 1-acetyl-3-[1-[1-[4-(difluoromethoxy)-2-methylphenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one?
1-acetyl-3-[1-[1-[4-(difluoromethoxy)-2-methylphenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one has a molecular weight of 482.49 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-[1-[1-[4-(difluoromethoxy)-2-methylphenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one is sourced from PubChem (CID 67311994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).