5-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine

C53H52BrF4N11O4 — CID 159872971

IUPAC5-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine
SMILESCC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3[nH]ncc3c2)C1c1ccccc1.CN.Cc1ccc(-n2ncc3cc(N4C(=O)C[C@H](NC(=O)C(C)(F)F)C4c4ccccc4)ccc32)cn1.Cc1ccc(Br)cn1
InChIInChI=1S/C26H23F2N5O2.C20H18F2N4O2.C6H6BrN.CH5N/c1-16-8-9-20(15-29-16)33-22-11-10-19(12-18(22)14-30-33)32-23(34)13-21(31-25(35)26(2,27)28)24(32)17-6-4-3-5-7-17;1-20(21,22)19(28)24-16-10-17(27)26(18(16)12-5-3-2-4-6-12)14-7-8-15-13(9-14)11-23-25-15;1-5-2-3-6(7)4-8-5;1-2/h3-12,14-15,21,24H,13H2,1-2H3,(H,31,35);2-9,11,16,18H,10H2,1H3,(H,23,25)(H,24,28);2-4H,1H3;2H2,1H3/t21-,24?;16-,18?;;/m00../s1
InChIKeyNSNUGQJIJBQSFX-FLUVBXEXSA-N
MW1062.97 g/mol
LogP9.26
Rot. Bonds9

About 5-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine

5-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine (PubChem CID 159872971) has the molecular formula C53H52BrF4N11O4 and a molecular weight of 1062.97 g/mol. Its IUPAC name is 5-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine.

Molecular Properties

Compound Name5-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine
PubChem CID159872971
Molecular FormulaC53H52BrF4N11O4
Molecular Weight1062.97 g/mol
Exact Mass1061.33
IUPAC Name5-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine
SMILESCC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3[nH]ncc3c2)C1c1ccccc1.CN.Cc1ccc(-n2ncc3cc(N4C(=O)C[C@H](NC(=O)C(C)(F)F)C4c4ccccc4)ccc32)cn1.Cc1ccc(Br)cn1
InChIInChI=1S/C26H23F2N5O2.C20H18F2N4O2.C6H6BrN.CH5N/c1-16-8-9-20(15-29-16)33-22-11-10-19(12-18(22)14-30-33)32-23(34)13-21(31-25(35)26(2,27)28)24(32)17-6-4-3-5-7-17;1-20(21,22)19(28)24-16-10-17(27)26(18(16)12-5-3-2-4-6-12)14-7-8-15-13(9-14)11-23-25-15;1-5-2-3-6(7)4-8-5;1-2/h3-12,14-15,21,24H,13H2,1-2H3,(H,31,35);2-9,11,16,18H,10H2,1H3,(H,23,25)(H,24,28);2-4H,1H3;2H2,1H3/t21-,24?;16-,18?;;/m00../s1
InChIKeyNSNUGQJIJBQSFX-FLUVBXEXSA-N
XLogP9.26
TPSA197.12 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001062.97
LogP ≤ 59.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 5-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine with MolForge

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Related Compounds

(2S,5R)-1-[(2,6-difluorophenyl)methyl]-N,N-diethyl-5-[1-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-4-yl]piperidine-2-carboxamide
CID 89797583
(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)pyridin-4-yl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 122596117
4-bromo-1-[2-oxo-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]-1'-[1-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethenyl]spiro[indole-3,4'-piperidine]-2-one
CID 130323575
7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)pyridin-4-yl]-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 135237114
2,2-difluoro-N-[1-[1-(6-methylpyridin-3-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
CID 138687270
2,2-difluoro-N-[(2S,3R)-1-[1-(6-methylpyridin-3-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
CID 138687271
2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide
CID 138687306
2,2-difluoro-N-[5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide
CID 138687308
2,2-difluoro-N-[(2S,3R)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide
CID 138687334
2,2-difluoro-N-[(2R,3S)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
CID 138687364
2,2-difluoro-N-[(3R)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
CID 139295886
1-[(2,6-difluorophenyl)methyl]-N,N-diethyl-5-[1-(3-pyridin-4-yl-1H-indazol-5-yl)triazol-4-yl]piperidine-2-carboxamide
CID 139462854

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine?
The IUPAC name of 5-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine (CID 159872971) is 5-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine.
What is the SMILES notation for 5-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine?
The canonical SMILES for 5-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine is CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3[nH]ncc3c2)C1c1ccccc1.CN.Cc1ccc(-n2ncc3cc(N4C(=O)C[C@H](NC(=O)C(C)(F)F)C4c4ccccc4)ccc32)cn1.Cc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine?
The InChIKey is NSNUGQJIJBQSFX-FLUVBXEXSA-N. The full InChI is InChI=1S/C26H23F2N5O2.C20H18F2N4O2.C6H6BrN.CH5N/c1-16-8-9-20(15-29-16)33-22-11-10-19(12-18(22)14-30-33)32-23(34)13-21(31-25(35)26(2,27)28)24(32)17-6-4-3-5-7-17;1-20(21,22)19(28)24-16-10-17(27)26(18(16)12-5-3-2-4-6-12)14-7-8-15-13(9-14)11-23-25-15;1-5-2-3-6(7)4-8-5;1-2/h3-12,14-15,21,24H,13H2,1-2H3,(H,31,35);2-9,11,16,18H,10H2,1H3,(H,23,25)(H,24,28);2-4H,1H3;2H2,1H3/t21-,24?;16-,18?;;/m00../s1.
What are the key properties of 5-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine?
5-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine has a molecular weight of 1062.97 g/mol, XLogP of 9.26, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(6-methyl-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine is sourced from PubChem (CID 159872971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).