3-[4-(difluoromethoxy)-3-methylphenyl]-3-(3-pyrazin-2-ylphenyl)-1,2-dihydropyrrol-5-amine

C22H20F2N4O — CID 141243095

IUPAC3-[4-(difluoromethoxy)-3-methylphenyl]-3-(3-pyrazin-2-ylphenyl)-1,2-dihydropyrrol-5-amine
SMILESCc1cc(C2(c3cccc(-c4cnccn4)c3)C=C(N)NC2)ccc1OC(F)F
InChIInChI=1S/C22H20F2N4O/c1-14-9-17(5-6-19(14)29-21(23)24)22(11-20(25)28-13-22)16-4-2-3-15(10-16)18-12-26-7-8-27-18/h2-12,21,28H,13,25H2,1H3
InChIKeyRAHYJQREOBJIGG-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.74
Rot. Bonds5

About 3-[4-(difluoromethoxy)-3-methylphenyl]-3-(3-pyrazin-2-ylphenyl)-1,2-dihydropyrrol-5-amine

3-[4-(difluoromethoxy)-3-methylphenyl]-3-(3-pyrazin-2-ylphenyl)-1,2-dihydropyrrol-5-amine (PubChem CID 141243095) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)-3-methylphenyl]-3-(3-pyrazin-2-ylphenyl)-1,2-dihydropyrrol-5-amine.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)-3-methylphenyl]-3-(3-pyrazin-2-ylphenyl)-1,2-dihydropyrrol-5-amine
PubChem CID141243095
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name3-[4-(difluoromethoxy)-3-methylphenyl]-3-(3-pyrazin-2-ylphenyl)-1,2-dihydropyrrol-5-amine
SMILESCc1cc(C2(c3cccc(-c4cnccn4)c3)C=C(N)NC2)ccc1OC(F)F
InChIInChI=1S/C22H20F2N4O/c1-14-9-17(5-6-19(14)29-21(23)24)22(11-20(25)28-13-22)16-4-2-3-15(10-16)18-12-26-7-8-27-18/h2-12,21,28H,13,25H2,1H3
InChIKeyRAHYJQREOBJIGG-UHFFFAOYSA-N
XLogP3.74
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromophenyl)-3-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dihydropyrrol-5-amine
CID 141243091
4-[4-(difluoromethoxy)-3-methylphenyl]-4-(3-pyrazin-2-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67345684
[[4-[4-(difluoromethoxy)-3-methylphenyl]-4-(3-pyrazin-2-ylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87364675
3-[3-(5-chloro-3-pyridinyl)phenyl]-3-[4-(difluoromethoxy)-3-fluorophenyl]-1,2-dihydropyrrol-5-amine
CID 141243141
(4S)-4-[3-(6-chloropyrazin-2-yl)phenyl]-4-[4-(difluoromethoxy)-3-methylphenyl]-5H-1,3-oxazol-2-amine
CID 87365954
3-[4-(difluoromethoxy)-2-methylphenyl]-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine
CID 141243211
5-[4-(difluoromethoxy)-3,5-dimethylphenyl]-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 46203377
5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyridin-3-ylphenyl)imidazolidine-2,4-dione
CID 78320645
5-amino-3-[4-(difluoromethoxy)-3-methylphenyl]-1-methyl-3-(3-pyrimidin-5-ylphenyl)pyrrol-2-one
CID 153339137
[[4-[4-(difluoromethoxy)-3-methylphenyl]-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87364471
5-(3-fluoro-4-methoxy-5-methylphenyl)-5-(3-pyrazin-2-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 46203681
2-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazine
CID 175184638

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)-3-methylphenyl]-3-(3-pyrazin-2-ylphenyl)-1,2-dihydropyrrol-5-amine?
The IUPAC name of 3-[4-(difluoromethoxy)-3-methylphenyl]-3-(3-pyrazin-2-ylphenyl)-1,2-dihydropyrrol-5-amine (CID 141243095) is 3-[4-(difluoromethoxy)-3-methylphenyl]-3-(3-pyrazin-2-ylphenyl)-1,2-dihydropyrrol-5-amine.
What is the SMILES notation for 3-[4-(difluoromethoxy)-3-methylphenyl]-3-(3-pyrazin-2-ylphenyl)-1,2-dihydropyrrol-5-amine?
The canonical SMILES for 3-[4-(difluoromethoxy)-3-methylphenyl]-3-(3-pyrazin-2-ylphenyl)-1,2-dihydropyrrol-5-amine is Cc1cc(C2(c3cccc(-c4cnccn4)c3)C=C(N)NC2)ccc1OC(F)F.
What is the InChIKey of 3-[4-(difluoromethoxy)-3-methylphenyl]-3-(3-pyrazin-2-ylphenyl)-1,2-dihydropyrrol-5-amine?
The InChIKey is RAHYJQREOBJIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c1-14-9-17(5-6-19(14)29-21(23)24)22(11-20(25)28-13-22)16-4-2-3-15(10-16)18-12-26-7-8-27-18/h2-12,21,28H,13,25H2,1H3.
What are the key properties of 3-[4-(difluoromethoxy)-3-methylphenyl]-3-(3-pyrazin-2-ylphenyl)-1,2-dihydropyrrol-5-amine?
3-[4-(difluoromethoxy)-3-methylphenyl]-3-(3-pyrazin-2-ylphenyl)-1,2-dihydropyrrol-5-amine has a molecular weight of 394.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)-3-methylphenyl]-3-(3-pyrazin-2-ylphenyl)-1,2-dihydropyrrol-5-amine is sourced from PubChem (CID 141243095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).