2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid

C53H49Cl2F6N9O5 — CID 160628383

IUPAC2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid
SMILESCC(C)(F)C(=O)NCc1cnc(C(F)F)c(C(=O)O)c1.Cn1c(-c2cccc(Cl)c2)cc2cc(CC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ncc21.Cn1c(-c2cccc(Cl)c2)cc2cc(N)ncc21
InChIInChI=1S/C27H24ClF3N4O2.C14H12ClN3.C12H13F3N2O3/c1-27(2,31)26(37)34-13-15-7-20(24(25(29)30)33-12-15)23(36)11-19-9-17-10-21(35(3)22(17)14-32-19)16-5-4-6-18(28)8-16;1-18-12(9-3-2-4-11(15)5-9)6-10-7-14(16)17-8-13(10)18;1-12(2,15)11(20)17-5-6-3-7(10(18)19)8(9(13)14)16-4-6/h4-10,12,14,25H,11,13H2,1-3H3,(H,34,37);2-8H,1H3,(H2,16,17);3-4,9H,5H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyRHPIYJZXFKAKRP-UHFFFAOYSA-N
MW1076.93 g/mol
LogP11.57
Rot. Bonds14

About 2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid

2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid (PubChem CID 160628383) has the molecular formula C53H49Cl2F6N9O5 and a molecular weight of 1076.93 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid
PubChem CID160628383
Molecular FormulaC53H49Cl2F6N9O5
Molecular Weight1076.93 g/mol
Exact Mass1075.31
IUPAC Name2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid
SMILESCC(C)(F)C(=O)NCc1cnc(C(F)F)c(C(=O)O)c1.Cn1c(-c2cccc(Cl)c2)cc2cc(CC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ncc21.Cn1c(-c2cccc(Cl)c2)cc2cc(N)ncc21
InChIInChI=1S/C27H24ClF3N4O2.C14H12ClN3.C12H13F3N2O3/c1-27(2,31)26(37)34-13-15-7-20(24(25(29)30)33-12-15)23(36)11-19-9-17-10-21(35(3)22(17)14-32-19)16-5-4-6-18(28)8-16;1-18-12(9-3-2-4-11(15)5-9)6-10-7-14(16)17-8-13(10)18;1-12(2,15)11(20)17-5-6-3-7(10(18)19)8(9(13)14)16-4-6/h4-10,12,14,25H,11,13H2,1-3H3,(H,34,37);2-8H,1H3,(H2,16,17);3-4,9H,5H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyRHPIYJZXFKAKRP-UHFFFAOYSA-N
XLogP11.57
TPSA200.01 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001076.93
LogP ≤ 511.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

1-[2-[(2S,4R)-2-[[6-(2-chloro-4,6-difluorophenyl)-2-pyridinyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrrolo[2,3-c]pyridine-3-carboxylic acid
CID 137448847
3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride
CID 157245152
2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate
CID 158205819
4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]pyridine-3-carboxylic acid;ethyl 2-[(3R,4S)-1-[4,6-dichloro-5-[[1,4-dimethyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]pyridine-3-carbonyl]-3-methylpiperidin-4-yl]acetate;ethyl 2-[(3R,4S)-3-methylpiperidin-4-yl]acetate
CID 158561456
2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid
CID 158727356
4-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-imidazo[1,2-a]pyrimidin-2-ylpentan-1-one;tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;imidazo[1,2-a]pyrimidine-2-carboxylic acid;hydrochloride
CID 159039621
6-acetyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(5-methylhexan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyridin-3-ylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1,1,1-trifluorobutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;N-methyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 159146487
5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;1-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-5,5,5-trifluoropentan-1-one;3,3,3-trifluoropropan-1-amine
CID 159891799
6-(aminomethyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine;N-[[1-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid
CID 161230526
2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;2-[(3-chloroquinolin-6-yl)methyl]-N-[[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]pyridine-4-carboxamide;deuterio(fluoro)methane;[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methanamine
CID 161684150
2-(3-hydroxy-3-methylbutyl)-N-methyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide;2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 164994057
N-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid
CID 126596566

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid (CID 160628383) is 2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid is CC(C)(F)C(=O)NCc1cnc(C(F)F)c(C(=O)O)c1.Cn1c(-c2cccc(Cl)c2)cc2cc(CC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ncc21.Cn1c(-c2cccc(Cl)c2)cc2cc(N)ncc21.
What is the InChIKey of 2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid?
The InChIKey is RHPIYJZXFKAKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClF3N4O2.C14H12ClN3.C12H13F3N2O3/c1-27(2,31)26(37)34-13-15-7-20(24(25(29)30)33-12-15)23(36)11-19-9-17-10-21(35(3)22(17)14-32-19)16-5-4-6-18(28)8-16;1-18-12(9-3-2-4-11(15)5-9)6-10-7-14(16)17-8-13(10)18;1-12(2,15)11(20)17-5-6-3-7(10(18)19)8(9(13)14)16-4-6/h4-10,12,14,25H,11,13H2,1-3H3,(H,34,37);2-8H,1H3,(H2,16,17);3-4,9H,5H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid?
2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid has a molecular weight of 1076.93 g/mol, XLogP of 11.57, 14 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 160628383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).