tert-butyl 3,3-difluoro-4-[2-[[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate;2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;2-(3,3-difluoropiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide;(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-amine

C76H102F6N12O8 — CID 162235110

IUPACtert-butyl 3,3-difluoro-4-[2-[[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate;2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;2-(3,3-difluoropiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide;(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-amine
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)O)C(F)(F)C1.Cc1ccc(N2C[C@@H](C)[C@@H](N)C2)c2cccnc12.Cc1ccc(N2C[C@@H](C)[C@@H](NC(=O)CC3CCN(C(=O)OC(C)(C)C)CC3(F)F)C2)c2cccnc12.Cc1ccc(N2C[C@@H](C)[C@@H](NC(=O)CC3CCNCC3(F)F)C2)c2cccnc12
InChIInChI=1S/C27H36F2N4O3.C22H28F2N4O.C15H19N3.C12H19F2NO4/c1-17-8-9-22(20-7-6-11-30-24(17)20)33-14-18(2)21(15-33)31-23(34)13-19-10-12-32(16-27(19,28)29)25(35)36-26(3,4)5;1-14-5-6-19(17-4-3-8-26-21(14)17)28-11-15(2)18(12-28)27-20(29)10-16-7-9-25-13-22(16,23)24;1-10-5-6-14(12-4-3-7-17-15(10)12)18-8-11(2)13(16)9-18;1-11(2,3)19-10(18)15-5-4-8(6-9(16)17)12(13,14)7-15/h6-9,11,18-19,21H,10,12-16H2,1-5H3,(H,31,34);3-6,8,15-16,18,25H,7,9-13H2,1-2H3,(H,27,29);3-7,11,13H,8-9,16H2,1-2H3;8H,4-7H2,1-3H3,(H,16,17)/t18-,19?,21+;15-,16?,18+;11-,13+;/m111./s1
InChIKeyZVYLOZVTQVFQRK-UUIIRNGDSA-N
MW1425.72 g/mol
LogP12.57
Rot. Bonds11

About tert-butyl 3,3-difluoro-4-[2-[[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate;2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;2-(3,3-difluoropiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide;(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-amine

tert-butyl 3,3-difluoro-4-[2-[[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate;2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;2-(3,3-difluoropiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide;(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-amine (PubChem CID 162235110) has the molecular formula C76H102F6N12O8 and a molecular weight of 1425.72 g/mol. Its IUPAC name is tert-butyl 3,3-difluoro-4-[2-[[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate;2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;2-(3,3-difluoropiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide;(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Nametert-butyl 3,3-difluoro-4-[2-[[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate;2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;2-(3,3-difluoropiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide;(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-amine
PubChem CID162235110
Molecular FormulaC76H102F6N12O8
Molecular Weight1425.72 g/mol
Exact Mass1424.78
IUPAC Nametert-butyl 3,3-difluoro-4-[2-[[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate;2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;2-(3,3-difluoropiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide;(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-amine
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)O)C(F)(F)C1.Cc1ccc(N2C[C@@H](C)[C@@H](N)C2)c2cccnc12.Cc1ccc(N2C[C@@H](C)[C@@H](NC(=O)CC3CCN(C(=O)OC(C)(C)C)CC3(F)F)C2)c2cccnc12.Cc1ccc(N2C[C@@H](C)[C@@H](NC(=O)CC3CCNCC3(F)F)C2)c2cccnc12
InChIInChI=1S/C27H36F2N4O3.C22H28F2N4O.C15H19N3.C12H19F2NO4/c1-17-8-9-22(20-7-6-11-30-24(17)20)33-14-18(2)21(15-33)31-23(34)13-19-10-12-32(16-27(19,28)29)25(35)36-26(3,4)5;1-14-5-6-19(17-4-3-8-26-21(14)17)28-11-15(2)18(12-28)27-20(29)10-16-7-9-25-13-22(16,23)24;1-10-5-6-14(12-4-3-7-17-15(10)12)18-8-11(2)13(16)9-18;1-11(2,3)19-10(18)15-5-4-8(6-9(16)17)12(13,14)7-15/h6-9,11,18-19,21H,10,12-16H2,1-5H3,(H,31,34);3-6,8,15-16,18,25H,7,9-13H2,1-2H3,(H,27,29);3-7,11,13H,8-9,16H2,1-2H3;8H,4-7H2,1-3H3,(H,16,17)/t18-,19?,21+;15-,16?,18+;11-,13+;/m111./s1
InChIKeyZVYLOZVTQVFQRK-UUIIRNGDSA-N
XLogP12.57
TPSA241.02 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001425.72
LogP ≤ 512.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze tert-butyl 3,3-difluoro-4-[2-[[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate;2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;2-(3,3-difluoropiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide;(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(3S,4R)-4-fluoro-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]carbamate;(3R,4S)-4-fluoro-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine
CID 137423799
tert-butyl N-[4-fluoro-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]carbamate;(3R,4S)-4-fluoro-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine
CID 137423804
tert-butyl 4-fluoro-4-[2-[[(3R,4R)-4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate
CID 137423818
tert-butyl 3,3-difluoro-4-[2-[[(3R,4R)-4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate
CID 137423927
tert-butyl 3,3-difluoro-4-[2-[[(4R)-4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate
CID 142520319
tert-butyl 4-fluoro-4-[2-oxo-2-[[(3R,5S)-5-(trifluoromethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]ethyl]piperidine-1-carboxylate
CID 151711702
5-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoline-8-carboxamide;2-amino-3,3,3-trifluoropropanoic acid;bis(5-[(3R,5S)-3-[(2-amino-3,3,3-trifluoropropanoyl)amino]-5-methylpiperidin-1-yl]quinoline-8-carboxamide)
CID 157069083
5-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoline-8-carboxamide;(2S)-2-amino-3,3,3-trifluoropropanoic acid;bis(5-[(3R,5S)-3-[(2-amino-3,3,3-trifluoropropanoyl)amino]-5-methylpiperidin-1-yl]quinoline-8-carboxamide)
CID 157069084
CID 157284610
CID 157284610
tert-butyl 4-fluoro-4-[2-[[(3R,4R)-4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate;2-[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;2-(4-fluoropiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide;(3R,4R)-4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine
CID 157342152
1-(cyclopropylmethyl)pyrrolidin-3-amine;2-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxylic acid
CID 157437440
tert-butyl 3,3-difluoro-4-[2-[[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate;bis(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide);2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;2-(3,3-difluoropiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide;(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-amine
CID 157589972

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,3-difluoro-4-[2-[[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate;2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;2-(3,3-difluoropiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide;(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-amine?
The IUPAC name of tert-butyl 3,3-difluoro-4-[2-[[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate;2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;2-(3,3-difluoropiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide;(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-amine (CID 162235110) is tert-butyl 3,3-difluoro-4-[2-[[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate;2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;2-(3,3-difluoropiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide;(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-amine.
What is the SMILES notation for tert-butyl 3,3-difluoro-4-[2-[[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate;2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;2-(3,3-difluoropiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide;(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-amine?
The canonical SMILES for tert-butyl 3,3-difluoro-4-[2-[[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate;2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;2-(3,3-difluoropiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide;(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-amine is CC(C)(C)OC(=O)N1CCC(CC(=O)O)C(F)(F)C1.Cc1ccc(N2C[C@@H](C)[C@@H](N)C2)c2cccnc12.Cc1ccc(N2C[C@@H](C)[C@@H](NC(=O)CC3CCN(C(=O)OC(C)(C)C)CC3(F)F)C2)c2cccnc12.Cc1ccc(N2C[C@@H](C)[C@@H](NC(=O)CC3CCNCC3(F)F)C2)c2cccnc12.
What is the InChIKey of tert-butyl 3,3-difluoro-4-[2-[[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate;2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;2-(3,3-difluoropiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide;(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-amine?
The InChIKey is ZVYLOZVTQVFQRK-UUIIRNGDSA-N. The full InChI is InChI=1S/C27H36F2N4O3.C22H28F2N4O.C15H19N3.C12H19F2NO4/c1-17-8-9-22(20-7-6-11-30-24(17)20)33-14-18(2)21(15-33)31-23(34)13-19-10-12-32(16-27(19,28)29)25(35)36-26(3,4)5;1-14-5-6-19(17-4-3-8-26-21(14)17)28-11-15(2)18(12-28)27-20(29)10-16-7-9-25-13-22(16,23)24;1-10-5-6-14(12-4-3-7-17-15(10)12)18-8-11(2)13(16)9-18;1-11(2,3)19-10(18)15-5-4-8(6-9(16)17)12(13,14)7-15/h6-9,11,18-19,21H,10,12-16H2,1-5H3,(H,31,34);3-6,8,15-16,18,25H,7,9-13H2,1-2H3,(H,27,29);3-7,11,13H,8-9,16H2,1-2H3;8H,4-7H2,1-3H3,(H,16,17)/t18-,19?,21+;15-,16?,18+;11-,13+;/m111./s1.
What are the key properties of tert-butyl 3,3-difluoro-4-[2-[[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate;2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;2-(3,3-difluoropiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide;(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-amine?
tert-butyl 3,3-difluoro-4-[2-[[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate;2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;2-(3,3-difluoropiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide;(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-amine has a molecular weight of 1425.72 g/mol, XLogP of 12.57, 11 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,3-difluoro-4-[2-[[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]amino]-2-oxoethyl]piperidine-1-carboxylate;2-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid;2-(3,3-difluoropiperidin-4-yl)-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide;(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-amine is sourced from PubChem (CID 162235110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).