1-[1-[6-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one

C24H28N6O2 — CID 11189676

IUPAC1-[1-[6-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
SMILESCc1cc(-n2ccc(N3CCNC3=O)n2)c2c(n1)N(c1ccc(OC(C)C)cc1C)CC2
InChIInChI=1S/C24H28N6O2/c1-15(2)32-18-5-6-20(16(3)13-18)28-10-7-19-21(14-17(4)26-23(19)28)30-11-8-22(27-30)29-12-9-25-24(29)31/h5-6,8,11,13-15H,7,9-10,12H2,1-4H3,(H,25,31)
InChIKeyLFNSPSSAJSBXMS-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.90
Rot. Bonds5

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

1-[1-[6-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one (PubChem CID 11189676) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-[1-[6-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[6-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
PubChem CID11189676
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name1-[1-[6-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
SMILESCc1cc(-n2ccc(N3CCNC3=O)n2)c2c(n1)N(c1ccc(OC(C)C)cc1C)CC2
InChIInChI=1S/C24H28N6O2/c1-15(2)32-18-5-6-20(16(3)13-18)28-10-7-19-21(14-17(4)26-23(19)28)30-11-8-22(27-30)29-12-9-25-24(29)31/h5-6,8,11,13-15H,7,9-10,12H2,1-4H3,(H,25,31)
InChIKeyLFNSPSSAJSBXMS-UHFFFAOYSA-N
XLogP3.90
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[6-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[6-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one (CID 11189676) is 1-[1-[6-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[6-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[6-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one is Cc1cc(-n2ccc(N3CCNC3=O)n2)c2c(n1)N(c1ccc(OC(C)C)cc1C)CC2.
What is the InChIKey of 1-[1-[6-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one?
The InChIKey is LFNSPSSAJSBXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-15(2)32-18-5-6-20(16(3)13-18)28-10-7-19-21(14-17(4)26-23(19)28)30-11-8-22(27-30)29-12-9-25-24(29)31/h5-6,8,11,13-15H,7,9-10,12H2,1-4H3,(H,25,31).
What are the key properties of 1-[1-[6-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one?
1-[1-[6-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one has a molecular weight of 432.53 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one is sourced from PubChem (CID 11189676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).