3-bromopyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide;methanamine

C51H48BrF4N11O4 — CID 160721735

IUPAC3-bromopyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide;methanamine
SMILESBrc1cccnc1.CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3[nH]ncc3c2)C1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3cccnc3)c2)C1c1ccccc1.CN
InChIInChI=1S/C25H21F2N5O2.C20H18F2N4O2.C5H4BrN.CH5N/c1-25(26,27)24(34)30-20-13-22(33)31(23(20)16-6-3-2-4-7-16)18-9-10-21-17(12-18)14-29-32(21)19-8-5-11-28-15-19;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;6-5-2-1-3-7-4-5;1-2/h2-12,14-15,20,23H,13H2,1H3,(H,30,34);2-9,11,16,18H,10H2,1H3,(H,23,25)(H,24,28);1-4H;2H2,1H3/t20-,23?;16-,18?;;/m00../s1
InChIKeyRTEPNMMZIPPPJL-BAFLZCQCSA-N
MW1034.91 g/mol
LogP8.64
Rot. Bonds9

About 3-bromopyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide;methanamine

3-bromopyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide;methanamine (PubChem CID 160721735) has the molecular formula C51H48BrF4N11O4 and a molecular weight of 1034.91 g/mol. Its IUPAC name is 3-bromopyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide;methanamine.

Molecular Properties

Compound Name3-bromopyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide;methanamine
PubChem CID160721735
Molecular FormulaC51H48BrF4N11O4
Molecular Weight1034.91 g/mol
Exact Mass1033.30
IUPAC Name3-bromopyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide;methanamine
SMILESBrc1cccnc1.CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3[nH]ncc3c2)C1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3cccnc3)c2)C1c1ccccc1.CN
InChIInChI=1S/C25H21F2N5O2.C20H18F2N4O2.C5H4BrN.CH5N/c1-25(26,27)24(34)30-20-13-22(33)31(23(20)16-6-3-2-4-7-16)18-9-10-21-17(12-18)14-29-32(21)19-8-5-11-28-15-19;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;6-5-2-1-3-7-4-5;1-2/h2-12,14-15,20,23H,13H2,1H3,(H,30,34);2-9,11,16,18H,10H2,1H3,(H,23,25)(H,24,28);1-4H;2H2,1H3/t20-,23?;16-,18?;;/m00../s1
InChIKeyRTEPNMMZIPPPJL-BAFLZCQCSA-N
XLogP8.64
TPSA197.12 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001034.91
LogP ≤ 58.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 3-bromopyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-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 3-bromopyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide;methanamine?
The IUPAC name of 3-bromopyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide;methanamine (CID 160721735) is 3-bromopyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide;methanamine.
What is the SMILES notation for 3-bromopyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide;methanamine?
The canonical SMILES for 3-bromopyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide;methanamine is Brc1cccnc1.CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3[nH]ncc3c2)C1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3cccnc3)c2)C1c1ccccc1.CN.
What is the InChIKey of 3-bromopyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide;methanamine?
The InChIKey is RTEPNMMZIPPPJL-BAFLZCQCSA-N. The full InChI is InChI=1S/C25H21F2N5O2.C20H18F2N4O2.C5H4BrN.CH5N/c1-25(26,27)24(34)30-20-13-22(33)31(23(20)16-6-3-2-4-7-16)18-9-10-21-17(12-18)14-29-32(21)19-8-5-11-28-15-19;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;6-5-2-1-3-7-4-5;1-2/h2-12,14-15,20,23H,13H2,1H3,(H,30,34);2-9,11,16,18H,10H2,1H3,(H,23,25)(H,24,28);1-4H;2H2,1H3/t20-,23?;16-,18?;;/m00../s1.
What are the key properties of 3-bromopyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide;methanamine?
3-bromopyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide;methanamine has a molecular weight of 1034.91 g/mol, XLogP of 8.64, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenyl-1-(1-pyridin-3-ylindazol-5-yl)pyrrolidin-3-yl]propanamide;methanamine is sourced from PubChem (CID 160721735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).