(5R)-5-(aminomethyl)-3-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxamide;6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid;2-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-2-methylpropanamide

C91H95F5N20O11 — CID 167639760

IUPAC(5R)-5-(aminomethyl)-3-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxamide;6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid;2-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-2-methylpropanamide
SMILESCC1(F)CCN(C(=O)c2cnc3c(ccn3-c3ccc(C(=O)O)cn3)c2)CC1.CC1(F)CCN(C(=O)c2cnc3c(ccn3-c3ccc(N4C[C@@H](CN)OC4=O)nc3)c2)CC1.CC1(F)CCN(C(=O)c2cnc3c(ccn3-c3cncc(C(C)(C)C(N)=O)c3)c2)CC1.NC(=O)[C@@H]1CCCN1C(=O)c1cccc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)c1
InChIInChI=1S/C25H25F2N5O3.C23H25FN6O3.C23H26FN5O2.C20H19FN4O3/c26-25(27)7-11-30(12-8-25)23(34)18-13-16-6-10-31(22(16)29-15-18)19-4-1-3-17(14-19)24(35)32-9-2-5-20(32)21(28)33;1-23(24)5-8-28(9-6-23)21(31)16-10-15-4-7-29(20(15)27-12-16)17-2-3-19(26-13-17)30-14-18(11-25)33-22(30)32;1-22(2,21(25)31)17-11-18(14-26-13-17)29-7-4-15-10-16(12-27-19(15)29)20(30)28-8-5-23(3,24)6-9-28;1-20(21)5-8-24(9-6-20)18(26)15-10-13-4-7-25(17(13)23-12-15)16-3-2-14(11-22-16)19(27)28/h1,3-4,6,10,13-15,20H,2,5,7-9,11-12H2,(H2,28,33);2-4,7,10,12-13,18H,5-6,8-9,11,14,25H2,1H3;4,7,10-14H,5-6,8-9H2,1-3H3,(H2,25,31);2-4,7,10-12H,5-6,8-9H2,1H3,(H,27,28)/t20-;18-;;/m01../s1
InChIKeyOZSMRKCVXHWAJO-HVFPLDPLSA-N
MW1739.88 g/mol
LogP11.89
Rot. Bonds15

About (5R)-5-(aminomethyl)-3-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxamide;6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid;2-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-2-methylpropanamide

(5R)-5-(aminomethyl)-3-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxamide;6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid;2-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-2-methylpropanamide (PubChem CID 167639760) has the molecular formula C91H95F5N20O11 and a molecular weight of 1739.88 g/mol. Its IUPAC name is (5R)-5-(aminomethyl)-3-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxamide;6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid;2-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound Name(5R)-5-(aminomethyl)-3-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxamide;6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid;2-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-2-methylpropanamide
PubChem CID167639760
Molecular FormulaC91H95F5N20O11
Molecular Weight1739.88 g/mol
Exact Mass1738.74
IUPAC Name(5R)-5-(aminomethyl)-3-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxamide;6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid;2-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-2-methylpropanamide
SMILESCC1(F)CCN(C(=O)c2cnc3c(ccn3-c3ccc(C(=O)O)cn3)c2)CC1.CC1(F)CCN(C(=O)c2cnc3c(ccn3-c3ccc(N4C[C@@H](CN)OC4=O)nc3)c2)CC1.CC1(F)CCN(C(=O)c2cnc3c(ccn3-c3cncc(C(C)(C)C(N)=O)c3)c2)CC1.NC(=O)[C@@H]1CCCN1C(=O)c1cccc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)c1
InChIInChI=1S/C25H25F2N5O3.C23H25FN6O3.C23H26FN5O2.C20H19FN4O3/c26-25(27)7-11-30(12-8-25)23(34)18-13-16-6-10-31(22(16)29-15-18)19-4-1-3-17(14-19)24(35)32-9-2-5-20(32)21(28)33;1-23(24)5-8-28(9-6-23)21(31)16-10-15-4-7-29(20(15)27-12-16)17-2-3-19(26-13-17)30-14-18(11-25)33-22(30)32;1-22(2,21(25)31)17-11-18(14-26-13-17)29-7-4-15-10-16(12-27-19(15)29)20(30)28-8-5-23(3,24)6-9-28;1-20(21)5-8-24(9-6-20)18(26)15-10-13-4-7-25(17(13)23-12-15)16-3-2-14(11-22-16)19(27)28/h1,3-4,6,10,13-15,20H,2,5,7-9,11-12H2,(H2,28,33);2-4,7,10,12-13,18H,5-6,8-9,11,14,25H2,1H3;4,7,10-14H,5-6,8-9H2,1-3H3,(H2,25,31);2-4,7,10-12H,5-6,8-9H2,1H3,(H,27,28)/t20-;18-;;/m01../s1
InChIKeyOZSMRKCVXHWAJO-HVFPLDPLSA-N
XLogP11.89
TPSA390.54 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001739.88
LogP ≤ 511.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze (5R)-5-(aminomethyl)-3-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxamide;6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid;2-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-2-methylpropanamide with MolForge

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Related Compounds

2-amino-N,N-dimethyl-5-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;3-amino-N,N-dimethyl-6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide;[2-[3-amino-5-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-3-pyridinyl]methanol;4-[3-amino-6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one;4-[3-[2-ethyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholin-3-one;4-[3-[3-(2-fluoroethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholin-3-one;methane;4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one
CID 159967486
methyl 2-[(2,2,2-trifluoroacetyl)amino]imidazo[1,2-a]pyridine-6-carboxylate;6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-amine;2,2,2-trifluoro-N-(6-formylimidazo[1,2-a]pyridin-2-yl)acetamide;2,2,2-trifluoro-N-[6-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoro-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
CID 160993705
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;methane;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-2-(1-methylimidazol-2-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-2-(1-methylimidazol-2-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate
CID 161083235
2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid;[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;methyl 2-[6-(2,2-dimethylpropanoylamino)-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl 2-[6-(2,2-dimethylpropanoylamino)-4-(trifluoromethyl)-3-pyridinyl]-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;methyl 2-[6-(2,2-dimethylpropanoylamino)-4-(trifluoromethyl)-3-pyridinyl]-4-oxo-7-(trifluoromethyl)-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 161410057
tert-butyl N-methyl-N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]carbamate;methane;[(3S)-3-(methylamino)pyrrolidin-1-yl]-[6-[[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]amino]-3-pyridinyl]methanone;6-[[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid;dihydrochloride
CID 163496870
7-[[6-[[(3R)-3-hydroxy-4-[4-[7-[[6-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-1-oxo-2,3-dihydropyrrolo[3,4-c]pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridin-7-ium-7-yl]pyrrolidin-1-yl]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156652042
CID 157235957
CID 157235957
CID 157748523
CID 157748523
CID 157794182
CID 157794182
N,N-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;2-(methylamino)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 157968735
Tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate;tert-butyl 8-[1-[(4-methoxycarbonylphenyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2,8-diazaspiro[4.5]decane-2-carboxylate;methanol;methyl 4-[[5-(2,8-diazaspiro[4.5]decan-8-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzoate;bis(methyl 4-[[5-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzoate);pyridine-3-carbaldehyde
CID 158228296
4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3S)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-[7-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-7-[[5-[(3R)-3-hydroxyoxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-[[5-[(3R)-3-[(dimethylamino)methyl]-3-methoxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
CID 158609576

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(aminomethyl)-3-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxamide;6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid;2-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of (5R)-5-(aminomethyl)-3-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxamide;6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid;2-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-2-methylpropanamide (CID 167639760) is (5R)-5-(aminomethyl)-3-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxamide;6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid;2-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for (5R)-5-(aminomethyl)-3-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxamide;6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid;2-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for (5R)-5-(aminomethyl)-3-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxamide;6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid;2-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-2-methylpropanamide is CC1(F)CCN(C(=O)c2cnc3c(ccn3-c3ccc(C(=O)O)cn3)c2)CC1.CC1(F)CCN(C(=O)c2cnc3c(ccn3-c3ccc(N4C[C@@H](CN)OC4=O)nc3)c2)CC1.CC1(F)CCN(C(=O)c2cnc3c(ccn3-c3cncc(C(C)(C)C(N)=O)c3)c2)CC1.NC(=O)[C@@H]1CCCN1C(=O)c1cccc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)c1.
What is the InChIKey of (5R)-5-(aminomethyl)-3-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxamide;6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid;2-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-2-methylpropanamide?
The InChIKey is OZSMRKCVXHWAJO-HVFPLDPLSA-N. The full InChI is InChI=1S/C25H25F2N5O3.C23H25FN6O3.C23H26FN5O2.C20H19FN4O3/c26-25(27)7-11-30(12-8-25)23(34)18-13-16-6-10-31(22(16)29-15-18)19-4-1-3-17(14-19)24(35)32-9-2-5-20(32)21(28)33;1-23(24)5-8-28(9-6-23)21(31)16-10-15-4-7-29(20(15)27-12-16)17-2-3-19(26-13-17)30-14-18(11-25)33-22(30)32;1-22(2,21(25)31)17-11-18(14-26-13-17)29-7-4-15-10-16(12-27-19(15)29)20(30)28-8-5-23(3,24)6-9-28;1-20(21)5-8-24(9-6-20)18(26)15-10-13-4-7-25(17(13)23-12-15)16-3-2-14(11-22-16)19(27)28/h1,3-4,6,10,13-15,20H,2,5,7-9,11-12H2,(H2,28,33);2-4,7,10,12-13,18H,5-6,8-9,11,14,25H2,1H3;4,7,10-14H,5-6,8-9H2,1-3H3,(H2,25,31);2-4,7,10-12H,5-6,8-9H2,1H3,(H,27,28)/t20-;18-;;/m01../s1.
What are the key properties of (5R)-5-(aminomethyl)-3-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxamide;6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid;2-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-2-methylpropanamide?
(5R)-5-(aminomethyl)-3-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxamide;6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid;2-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 1739.88 g/mol, XLogP of 11.89, 15 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(aminomethyl)-3-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-2-pyridinyl]-1,3-oxazolidin-2-one;(2S)-1-[3-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzoyl]pyrrolidine-2-carboxamide;6-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid;2-[5-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 167639760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).