1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-methylimidazolidin-2-one

C23H26N6O2 — CID 11200917

IUPAC1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-methylimidazolidin-2-one
SMILESCOc1ccc(N2CCc3c(-n4ccc(N5CCN(C)C5=O)n4)cc(C)nc32)c(C)c1
InChIInChI=1S/C23H26N6O2/c1-15-13-17(31-4)5-6-19(15)27-9-7-18-20(14-16(2)24-22(18)27)29-10-8-21(25-29)28-12-11-26(3)23(28)30/h5-6,8,10,13-14H,7,9,11-12H2,1-4H3
InChIKeyWINAPCAJDORCHG-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.46
Rot. Bonds4

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

1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-methylimidazolidin-2-one (PubChem CID 11200917) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-methylimidazolidin-2-one
PubChem CID11200917
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-methylimidazolidin-2-one
SMILESCOc1ccc(N2CCc3c(-n4ccc(N5CCN(C)C5=O)n4)cc(C)nc32)c(C)c1
InChIInChI=1S/C23H26N6O2/c1-15-13-17(31-4)5-6-19(15)27-9-7-18-20(14-16(2)24-22(18)27)29-10-8-21(25-29)28-12-11-26(3)23(28)30/h5-6,8,10,13-14H,7,9,11-12H2,1-4H3
InChIKeyWINAPCAJDORCHG-UHFFFAOYSA-N
XLogP3.46
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-methylimidazolidin-2-one with MolForge

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Related Compounds

CID 11223423
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CID 59394698
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CID 76282073
CID 76282073
CID 59394180
CID 59394180
CID 9865886
CID 9865886
CID 11235455
CID 11235455
CID 11247672
CID 11247672
CID 11282792
CID 11282792
CID 11317069
CID 11317069
CID 11338604
CID 11338604
CID 11374063
CID 11374063
CID 11983528
CID 11983528

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-methylimidazolidin-2-one (CID 11200917) is 1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-methylimidazolidin-2-one is COc1ccc(N2CCc3c(-n4ccc(N5CCN(C)C5=O)n4)cc(C)nc32)c(C)c1.
What is the InChIKey of 1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-methylimidazolidin-2-one?
The InChIKey is WINAPCAJDORCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-15-13-17(31-4)5-6-19(15)27-9-7-18-20(14-16(2)24-22(18)27)29-10-8-21(25-29)28-12-11-26(3)23(28)30/h5-6,8,10,13-14H,7,9,11-12H2,1-4H3.
What are the key properties of 1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-methylimidazolidin-2-one?
1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-methylimidazolidin-2-one has a molecular weight of 418.50 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 11200917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).