3-[4-(difluoromethoxy)-2-methylphenyl]-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine

C23H20F3N3O — CID 141243211

IUPAC3-[4-(difluoromethoxy)-2-methylphenyl]-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine
SMILESCc1cc(OC(F)F)ccc1C1(c2cccc(-c3cncc(F)c3)c2)C=C(N)NC1
InChIInChI=1S/C23H20F3N3O/c1-14-7-19(30-22(25)26)5-6-20(14)23(10-21(27)29-13-23)17-4-2-3-15(8-17)16-9-18(24)12-28-11-16/h2-12,22,29H,13,27H2,1H3
InChIKeyPZXMOQDSNQNUSZ-UHFFFAOYSA-N
MW411.43 g/mol
LogP4.49
Rot. Bonds5

About 3-[4-(difluoromethoxy)-2-methylphenyl]-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine

3-[4-(difluoromethoxy)-2-methylphenyl]-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine (PubChem CID 141243211) has the molecular formula C23H20F3N3O and a molecular weight of 411.43 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)-2-methylphenyl]-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)-2-methylphenyl]-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine
PubChem CID141243211
Molecular FormulaC23H20F3N3O
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC Name3-[4-(difluoromethoxy)-2-methylphenyl]-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine
SMILESCc1cc(OC(F)F)ccc1C1(c2cccc(-c3cncc(F)c3)c2)C=C(N)NC1
InChIInChI=1S/C23H20F3N3O/c1-14-7-19(30-22(25)26)5-6-20(14)23(10-21(27)29-13-23)17-4-2-3-15(8-17)16-9-18(24)12-28-11-16/h2-12,22,29H,13,27H2,1H3
InChIKeyPZXMOQDSNQNUSZ-UHFFFAOYSA-N
XLogP4.49
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(5-chloro-3-pyridinyl)phenyl]-3-[4-(difluoromethoxy)-3-fluorophenyl]-1,2-dihydropyrrol-5-amine
CID 141243141
3-[4-(difluoromethoxy)-3-methylphenyl]-3-(3-pyrazin-2-ylphenyl)-1,2-dihydropyrrol-5-amine
CID 141243095
3-(3-bromophenyl)-3-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dihydropyrrol-5-amine
CID 141243091
[[4-[4-(difluoromethoxy)-2-methylphenyl]-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87364784
3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089266
(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-4-[3-(5-fluoro-3-pyridinyl)phenyl]-4-methyl-1,5-dihydropyrimidin-6-one
CID 89116031
acetic acid;[4-[6-amino-8-[3-(5-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] methanesulfonate
CID 24899105
4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane
CID 142506670
3-(difluoromethoxy)-5-pyridin-3-ylpyridine
CID 46316889
1-[(3S)-5-amino-7'-pyrimidin-5-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-2'-yl]oxypropan-2-one
CID 141263218
3-fluoro-5-[3-[2-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-yl]phenyl]pyridine
CID 66847901
1-[(3S)-5-amino-7'-pyridin-3-ylspiro[1,2-dihydropyrrole-3,9'-xanthene]-2'-yl]oxy-2-methylbutan-2-ol
CID 141263135

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)-2-methylphenyl]-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine?
The IUPAC name of 3-[4-(difluoromethoxy)-2-methylphenyl]-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine (CID 141243211) is 3-[4-(difluoromethoxy)-2-methylphenyl]-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine.
What is the SMILES notation for 3-[4-(difluoromethoxy)-2-methylphenyl]-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine?
The canonical SMILES for 3-[4-(difluoromethoxy)-2-methylphenyl]-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine is Cc1cc(OC(F)F)ccc1C1(c2cccc(-c3cncc(F)c3)c2)C=C(N)NC1.
What is the InChIKey of 3-[4-(difluoromethoxy)-2-methylphenyl]-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine?
The InChIKey is PZXMOQDSNQNUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O/c1-14-7-19(30-22(25)26)5-6-20(14)23(10-21(27)29-13-23)17-4-2-3-15(8-17)16-9-18(24)12-28-11-16/h2-12,22,29H,13,27H2,1H3.
What are the key properties of 3-[4-(difluoromethoxy)-2-methylphenyl]-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine?
3-[4-(difluoromethoxy)-2-methylphenyl]-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine has a molecular weight of 411.43 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)-2-methylphenyl]-3-[3-(5-fluoro-3-pyridinyl)phenyl]-1,2-dihydropyrrol-5-amine is sourced from PubChem (CID 141243211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).