2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-3-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-4-ylpyrrolidin-1-yl)ethanone

C69H69F3N12O3 — CID 160943541

IUPAC2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-3-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-4-ylpyrrolidin-1-yl)ethanone
SMILESCc1cc(F)ccc1-c1ccc(N)c(CC(=O)N2CCC(c3ccccn3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(CC(=O)N2CCC(c3cccnc3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(CC(=O)N2CCC(c3ccncc3)C2)n1
InChIInChI=1S/3C23H23FN4O/c1-15-12-18(24)2-3-19(15)21-5-4-20(25)22(27-21)13-23(29)28-11-8-17(14-28)16-6-9-26-10-7-16;1-15-11-18(24)4-5-19(15)21-7-6-20(25)22(27-21)12-23(29)28-10-8-17(14-28)16-3-2-9-26-13-16;1-15-12-17(24)5-6-18(15)21-8-7-19(25)22(27-21)13-23(29)28-11-9-16(14-28)20-4-2-3-10-26-20/h2-7,9-10,12,17H,8,11,13-14,25H2,1H3;2-7,9,11,13,17H,8,10,12,14,25H2,1H3;2-8,10,12,16H,9,11,13-14,25H2,1H3
InChIKeySUUXVZLYABZZJQ-UHFFFAOYSA-N
MW1171.39 g/mol
LogP11.20
Rot. Bonds12

About 2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-3-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-4-ylpyrrolidin-1-yl)ethanone

2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-3-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-4-ylpyrrolidin-1-yl)ethanone (PubChem CID 160943541) has the molecular formula C69H69F3N12O3 and a molecular weight of 1171.39 g/mol. Its IUPAC name is 2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-3-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-4-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-3-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-4-ylpyrrolidin-1-yl)ethanone
PubChem CID160943541
Molecular FormulaC69H69F3N12O3
Molecular Weight1171.39 g/mol
Exact Mass1170.56
IUPAC Name2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-3-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-4-ylpyrrolidin-1-yl)ethanone
SMILESCc1cc(F)ccc1-c1ccc(N)c(CC(=O)N2CCC(c3ccccn3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(CC(=O)N2CCC(c3cccnc3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(CC(=O)N2CCC(c3ccncc3)C2)n1
InChIInChI=1S/3C23H23FN4O/c1-15-12-18(24)2-3-19(15)21-5-4-20(25)22(27-21)13-23(29)28-11-8-17(14-28)16-6-9-26-10-7-16;1-15-11-18(24)4-5-19(15)21-7-6-20(25)22(27-21)12-23(29)28-10-8-17(14-28)16-3-2-9-26-13-16;1-15-12-17(24)5-6-18(15)21-8-7-19(25)22(27-21)13-23(29)28-11-9-16(14-28)20-4-2-3-10-26-20/h2-7,9-10,12,17H,8,11,13-14,25H2,1H3;2-7,9,11,13,17H,8,10,12,14,25H2,1H3;2-8,10,12,16H,9,11,13-14,25H2,1H3
InChIKeySUUXVZLYABZZJQ-UHFFFAOYSA-N
XLogP11.20
TPSA216.33 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001171.39
LogP ≤ 511.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-3-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-4-ylpyrrolidin-1-yl)ethanone with MolForge

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Related Compounds

4-[4-[2-methyl-6-[5-[4-[4-[6-(trifluoromethyl)pyridin-3-yl]phenyl]butanoylamino]pyridin-2-yl]pyridin-4-yl]phenyl]-N-pyridin-3-ylbutanamide
CID 138721796
2-[3-Amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-(1-methylpiperidin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
CID 153073045
2-[3-Amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(3-pyridin-4-ylpyrrolidin-1-yl)ethanone
CID 157321049
2-[3-Amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(4-methylpiperazin-1-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
CID 157328715
2-[3-Amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(1-methylpiperidin-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
CID 157462808
2-[3-Amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[(4-methylpiperazin-1-yl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
CID 157847718
[(5R)-2,4-dimethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;methane;[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]-[(5R)-4-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]-[(8S)-2-methylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]-[(8S)-3-methylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]-[(8S)-2-phenylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]-[(8R)-spiro[2,3,4,5,6,7-hexahydro-1H-acridine-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]-[(5R)-4-(trifluoromethyl)spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone
CID 158074730
3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propanamide;2,8-dimethyl-5-(2-pyridin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 158339379
1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]piperazin-1-yl]ethanone;bis(1-[[(2R,5R)-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-2-methylpiperidin-4-one)
CID 159206607
2-[3-Amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 159413251
2-[3-Amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 159457583
2-[3-Amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(5-methylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
CID 159502732

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-3-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-4-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-3-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-4-ylpyrrolidin-1-yl)ethanone (CID 160943541) is 2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-3-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-4-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-3-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-4-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-3-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-4-ylpyrrolidin-1-yl)ethanone is Cc1cc(F)ccc1-c1ccc(N)c(CC(=O)N2CCC(c3ccccn3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(CC(=O)N2CCC(c3cccnc3)C2)n1.Cc1cc(F)ccc1-c1ccc(N)c(CC(=O)N2CCC(c3ccncc3)C2)n1.
What is the InChIKey of 2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-3-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-4-ylpyrrolidin-1-yl)ethanone?
The InChIKey is SUUXVZLYABZZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H23FN4O/c1-15-12-18(24)2-3-19(15)21-5-4-20(25)22(27-21)13-23(29)28-11-8-17(14-28)16-6-9-26-10-7-16;1-15-11-18(24)4-5-19(15)21-7-6-20(25)22(27-21)12-23(29)28-10-8-17(14-28)16-3-2-9-26-13-16;1-15-12-17(24)5-6-18(15)21-8-7-19(25)22(27-21)13-23(29)28-11-9-16(14-28)20-4-2-3-10-26-20/h2-7,9-10,12,17H,8,11,13-14,25H2,1H3;2-7,9,11,13,17H,8,10,12,14,25H2,1H3;2-8,10,12,16H,9,11,13-14,25H2,1H3.
What are the key properties of 2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-3-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-4-ylpyrrolidin-1-yl)ethanone?
2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-3-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-4-ylpyrrolidin-1-yl)ethanone has a molecular weight of 1171.39 g/mol, XLogP of 11.20, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-3-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-4-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 160943541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).