2-[4-[4-[7-(2,5-difluorophenyl)-2,3-dihydropyrrolo[1,2-a]imidazol-1-yl]quinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine

C28H26F2N6 — CID 164622238

IUPAC2-[4-[4-[7-(2,5-difluorophenyl)-2,3-dihydropyrrolo[1,2-a]imidazol-1-yl]quinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(-c2ccc3c(N4CCn5ccc(-c6cc(F)ccc6F)c54)ccnc3c2)cn1
InChIInChI=1S/C28H26F2N6/c1-33(2)11-13-35-18-20(17-32-35)19-3-5-23-26(15-19)31-9-7-27(23)36-14-12-34-10-8-22(28(34)36)24-16-21(29)4-6-25(24)30/h3-10,15-18H,11-14H2,1-2H3
InChIKeyTYKGIDMTUICHIP-UHFFFAOYSA-N
MW484.55 g/mol
LogP5.56
Rot. Bonds6

About 2-[4-[4-[7-(2,5-difluorophenyl)-2,3-dihydropyrrolo[1,2-a]imidazol-1-yl]quinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-[4-[7-(2,5-difluorophenyl)-2,3-dihydropyrrolo[1,2-a]imidazol-1-yl]quinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 164622238) has the molecular formula C28H26F2N6 and a molecular weight of 484.55 g/mol. Its IUPAC name is 2-[4-[4-[7-(2,5-difluorophenyl)-2,3-dihydropyrrolo[1,2-a]imidazol-1-yl]quinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[4-[7-(2,5-difluorophenyl)-2,3-dihydropyrrolo[1,2-a]imidazol-1-yl]quinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID164622238
Molecular FormulaC28H26F2N6
Molecular Weight484.55 g/mol
Exact Mass484.22
IUPAC Name2-[4-[4-[7-(2,5-difluorophenyl)-2,3-dihydropyrrolo[1,2-a]imidazol-1-yl]quinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(-c2ccc3c(N4CCn5ccc(-c6cc(F)ccc6F)c54)ccnc3c2)cn1
InChIInChI=1S/C28H26F2N6/c1-33(2)11-13-35-18-20(17-32-35)19-3-5-23-26(15-19)31-9-7-27(23)36-14-12-34-10-8-22(28(34)36)24-16-21(29)4-6-25(24)30/h3-10,15-18H,11-14H2,1-2H3
InChIKeyTYKGIDMTUICHIP-UHFFFAOYSA-N
XLogP5.56
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-[7-(2,5-difluorophenyl)-2,3-dihydropyrrolo[1,2-a]imidazol-1-yl]quinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

Dihydropyrrolopyrazole, 7d
CID 9946092
(R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11603648
6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline
CID 71666369
2-(1-methyl-1H-imidazol-2-yl)-8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridine
CID 118660604
1-methyl-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1Hbenzoimidazole
CID 10064294
(R)-2-(5-methyl-1-(6-methyl-4-(trifluoromethyl)pyridin-2-yl)-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11554762
dimethyl-{3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-benzoimidazol-1-yl]-propyl}-amine
CID 44408849
N,N-dimethyl-3-(5-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-benzo[d]imidazol-1-yl)propan-1-amine
CID 45487444
2-(1-methyl-1H-imidazol-2-yl)-8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-5-amine
CID 118660753
6-fluoro-5-[1-[3-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
CID 122650508
1-(4-Fluorophenyl)-2-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinoline
CID 168285521
Dihydropyrrolopyrazole, 12
CID 21992881

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[7-(2,5-difluorophenyl)-2,3-dihydropyrrolo[1,2-a]imidazol-1-yl]quinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[4-[7-(2,5-difluorophenyl)-2,3-dihydropyrrolo[1,2-a]imidazol-1-yl]quinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 164622238) is 2-[4-[4-[7-(2,5-difluorophenyl)-2,3-dihydropyrrolo[1,2-a]imidazol-1-yl]quinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[4-[7-(2,5-difluorophenyl)-2,3-dihydropyrrolo[1,2-a]imidazol-1-yl]quinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[4-[7-(2,5-difluorophenyl)-2,3-dihydropyrrolo[1,2-a]imidazol-1-yl]quinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1cc(-c2ccc3c(N4CCn5ccc(-c6cc(F)ccc6F)c54)ccnc3c2)cn1.
What is the InChIKey of 2-[4-[4-[7-(2,5-difluorophenyl)-2,3-dihydropyrrolo[1,2-a]imidazol-1-yl]quinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is TYKGIDMTUICHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N6/c1-33(2)11-13-35-18-20(17-32-35)19-3-5-23-26(15-19)31-9-7-27(23)36-14-12-34-10-8-22(28(34)36)24-16-21(29)4-6-25(24)30/h3-10,15-18H,11-14H2,1-2H3.
What are the key properties of 2-[4-[4-[7-(2,5-difluorophenyl)-2,3-dihydropyrrolo[1,2-a]imidazol-1-yl]quinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-[4-[7-(2,5-difluorophenyl)-2,3-dihydropyrrolo[1,2-a]imidazol-1-yl]quinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 484.55 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[7-(2,5-difluorophenyl)-2,3-dihydropyrrolo[1,2-a]imidazol-1-yl]quinolin-7-yl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 164622238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).