1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(1,4-dimethylpyrrol-3-yl)ethenyl]cyclohexane-1,4-diamine

C22H27F2N5 — CID 164558503

IUPAC1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(1,4-dimethylpyrrol-3-yl)ethenyl]cyclohexane-1,4-diamine
SMILESC=C(NC1CCC(Nc2cccc3nc(C(F)F)cn23)CC1)c1cn(C)cc1C
InChIInChI=1S/C22H27F2N5/c1-14-11-28(3)12-18(14)15(2)25-16-7-9-17(10-8-16)26-20-5-4-6-21-27-19(22(23)24)13-29(20)21/h4-6,11-13,16-17,22,25-26H,2,7-10H2,1,3H3
InChIKeyIDFFCTNBUFYLSS-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.90
Rot. Bonds6

About 1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(1,4-dimethylpyrrol-3-yl)ethenyl]cyclohexane-1,4-diamine

1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(1,4-dimethylpyrrol-3-yl)ethenyl]cyclohexane-1,4-diamine (PubChem CID 164558503) has the molecular formula C22H27F2N5 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(1,4-dimethylpyrrol-3-yl)ethenyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(1,4-dimethylpyrrol-3-yl)ethenyl]cyclohexane-1,4-diamine
PubChem CID164558503
Molecular FormulaC22H27F2N5
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(1,4-dimethylpyrrol-3-yl)ethenyl]cyclohexane-1,4-diamine
SMILESC=C(NC1CCC(Nc2cccc3nc(C(F)F)cn23)CC1)c1cn(C)cc1C
InChIInChI=1S/C22H27F2N5/c1-14-11-28(3)12-18(14)15(2)25-16-7-9-17(10-8-16)26-20-5-4-6-21-27-19(22(23)24)13-29(20)21/h4-6,11-13,16-17,22,25-26H,2,7-10H2,1,3H3
InChIKeyIDFFCTNBUFYLSS-UHFFFAOYSA-N
XLogP4.90
TPSA46.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(3-methylphenyl)ethenyl]cyclohexane-1,4-diamine
CID 164558145
4-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 166009014
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide
CID 177065631
2-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-4-methoxybenzamide
CID 166009158
2-(difluoromethyl)-N-(4-methylcyclohexyl)imidazo[1,2-a]pyridin-5-amine;2-methylpyrazole-3-carboxamide
CID 164558263
N-[1-(2-chloro-4-methylphenyl)ethenyl]-4-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]iminocyclohexan-1-amine
CID 164557975
4-N-[1-[1-(2,2-difluoroethyl)-5-(difluoromethyl)pyrazol-4-yl]ethenyl]-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine
CID 164558373
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide
CID 166009058
cis-(1S,4R)-1-N-[1-(6-methyl-3-pyridinyl)ethenyl]-4-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cycloheptane-1,4-diamine;ethane
CID 164558015
3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide
CID 164558406
4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide
CID 166008993
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]-4-methylcyclohexyl]-3-methoxybenzamide
CID 167141685

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(1,4-dimethylpyrrol-3-yl)ethenyl]cyclohexane-1,4-diamine?
The IUPAC name of 1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(1,4-dimethylpyrrol-3-yl)ethenyl]cyclohexane-1,4-diamine (CID 164558503) is 1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(1,4-dimethylpyrrol-3-yl)ethenyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(1,4-dimethylpyrrol-3-yl)ethenyl]cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(1,4-dimethylpyrrol-3-yl)ethenyl]cyclohexane-1,4-diamine is C=C(NC1CCC(Nc2cccc3nc(C(F)F)cn23)CC1)c1cn(C)cc1C.
What is the InChIKey of 1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(1,4-dimethylpyrrol-3-yl)ethenyl]cyclohexane-1,4-diamine?
The InChIKey is IDFFCTNBUFYLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N5/c1-14-11-28(3)12-18(14)15(2)25-16-7-9-17(10-8-16)26-20-5-4-6-21-27-19(22(23)24)13-29(20)21/h4-6,11-13,16-17,22,25-26H,2,7-10H2,1,3H3.
What are the key properties of 1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(1,4-dimethylpyrrol-3-yl)ethenyl]cyclohexane-1,4-diamine?
1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(1,4-dimethylpyrrol-3-yl)ethenyl]cyclohexane-1,4-diamine has a molecular weight of 399.49 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(1,4-dimethylpyrrol-3-yl)ethenyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 164558503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).