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

C22H21F3N6O2 — CID 11317069

IUPAC1-[1-[6-methyl-1-[2-methyl-4-(trifluoromethoxy)phenyl]-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(F)(F)F)cc1C)CC2
InChIInChI=1S/C22H21F3N6O2/c1-13-11-15(33-22(23,24)25)3-4-17(13)29-8-5-16-18(12-14(2)27-20(16)29)31-9-6-19(28-31)30-10-7-26-21(30)32/h3-4,6,9,11-12H,5,7-8,10H2,1-2H3,(H,26,32)
InChIKeyXQVNYKVZIKLUST-UHFFFAOYSA-N
MW458.44 g/mol
LogP4.01
Rot. Bonds4

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

1-[1-[6-methyl-1-[2-methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one (PubChem CID 11317069) has the molecular formula C22H21F3N6O2 and a molecular weight of 458.44 g/mol. Its IUPAC name is 1-[1-[6-methyl-1-[2-methyl-4-(trifluoromethoxy)phenyl]-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-(trifluoromethoxy)phenyl]-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
PubChem CID11317069
Molecular FormulaC22H21F3N6O2
Molecular Weight458.44 g/mol
Exact Mass458.17
IUPAC Name1-[1-[6-methyl-1-[2-methyl-4-(trifluoromethoxy)phenyl]-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(F)(F)F)cc1C)CC2
InChIInChI=1S/C22H21F3N6O2/c1-13-11-15(33-22(23,24)25)3-4-17(13)29-8-5-16-18(12-14(2)27-20(16)29)31-9-6-19(28-31)30-10-7-26-21(30)32/h3-4,6,9,11-12H,5,7-8,10H2,1-2H3,(H,26,32)
InChIKeyXQVNYKVZIKLUST-UHFFFAOYSA-N
XLogP4.01
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[6-methyl-1-[2-methyl-4-(trifluoromethoxy)phenyl]-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-(trifluoromethoxy)phenyl]-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-(trifluoromethoxy)phenyl]-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one (CID 11317069) is 1-[1-[6-methyl-1-[2-methyl-4-(trifluoromethoxy)phenyl]-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-(trifluoromethoxy)phenyl]-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-(trifluoromethoxy)phenyl]-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(F)(F)F)cc1C)CC2.
What is the InChIKey of 1-[1-[6-methyl-1-[2-methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one?
The InChIKey is XQVNYKVZIKLUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O2/c1-13-11-15(33-22(23,24)25)3-4-17(13)29-8-5-16-18(12-14(2)27-20(16)29)31-9-6-19(28-31)30-10-7-26-21(30)32/h3-4,6,9,11-12H,5,7-8,10H2,1-2H3,(H,26,32).
What are the key properties of 1-[1-[6-methyl-1-[2-methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one?
1-[1-[6-methyl-1-[2-methyl-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one has a molecular weight of 458.44 g/mol, XLogP of 4.01, 4 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-(trifluoromethoxy)phenyl]-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one is sourced from PubChem (CID 11317069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).