ethyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[[(3R,4R)-1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[[(3R,4R)-1-[(3S)-3-fluoropyrrolidine-1-carbonyl]-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

C111H155FN24O15 — CID 159415469

IUPACethyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[[(3R,4R)-1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[[(3R,4R)-1-[(3S)-3-fluoropyrrolidine-1-carbonyl]-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCC(C)OC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CN(C(=O)N2CCCC2)CC[C@H]1C.CC(C)OC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CN(C(=O)N2CC[C@H](F)C2)CC[C@H]1C.CCOC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CN(C(=O)N2CCCC2)CC[C@H]1C.COC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CN(C(=O)C2CCCC2)CC[C@H]1C.COC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CN(C(=O)N2CCCC2)CC[C@H]1C
InChIInChI=1S/C23H32FN5O3.C23H33N5O3.C22H31N5O3.C22H30N4O3.C21H29N5O3/c1-14(2)32-22(30)18-11-26-21-17(5-8-25-21)20(18)27(4)19-13-29(9-6-15(19)3)23(31)28-10-7-16(24)12-28;1-15(2)31-22(29)18-13-25-21-17(7-9-24-21)20(18)26(4)19-14-28(12-8-16(19)3)23(30)27-10-5-6-11-27;1-4-30-21(28)17-13-24-20-16(7-9-23-20)19(17)25(3)18-14-27(12-8-15(18)2)22(29)26-10-5-6-11-26;1-14-9-11-26(21(27)15-6-4-5-7-15)13-18(14)25(2)19-16-8-10-23-20(16)24-12-17(19)22(28)29-3;1-14-7-11-26(21(28)25-9-4-5-10-25)13-17(14)24(2)18-15-6-8-22-19(15)23-12-16(18)20(27)29-3/h5,8,11,14-16,19H,6-7,9-10,12-13H2,1-4H3,(H,25,26);7,9,13,15-16,19H,5-6,8,10-12,14H2,1-4H3,(H,24,25);7,9,13,15,18H,4-6,8,10-12,14H2,1-3H3,(H,23,24);8,10,12,14-15,18H,4-7,9,11,13H2,1-3H3,(H,23,24);6,8,12,14,17H,4-5,7,9-11,13H2,1-3H3,(H,22,23)/t15-,16+,19+;16-,19+;15-,18+;14-,18+;14-,17+/m11111/s1
InChIKeyLPCMVYITJDAOQA-DIBRUCTBSA-N
MW2084.61 g/mol
LogP15.96
Rot. Bonds19

About ethyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[[(3R,4R)-1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[[(3R,4R)-1-[(3S)-3-fluoropyrrolidine-1-carbonyl]-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

ethyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[[(3R,4R)-1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[[(3R,4R)-1-[(3S)-3-fluoropyrrolidine-1-carbonyl]-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (PubChem CID 159415469) has the molecular formula C111H155FN24O15 and a molecular weight of 2084.61 g/mol. Its IUPAC name is ethyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[[(3R,4R)-1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[[(3R,4R)-1-[(3S)-3-fluoropyrrolidine-1-carbonyl]-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[[(3R,4R)-1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[[(3R,4R)-1-[(3S)-3-fluoropyrrolidine-1-carbonyl]-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
PubChem CID159415469
Molecular FormulaC111H155FN24O15
Molecular Weight2084.61 g/mol
Exact Mass2083.21
IUPAC Nameethyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[[(3R,4R)-1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[[(3R,4R)-1-[(3S)-3-fluoropyrrolidine-1-carbonyl]-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCC(C)OC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CN(C(=O)N2CCCC2)CC[C@H]1C.CC(C)OC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CN(C(=O)N2CC[C@H](F)C2)CC[C@H]1C.CCOC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CN(C(=O)N2CCCC2)CC[C@H]1C.COC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CN(C(=O)C2CCCC2)CC[C@H]1C.COC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CN(C(=O)N2CCCC2)CC[C@H]1C
InChIInChI=1S/C23H32FN5O3.C23H33N5O3.C22H31N5O3.C22H30N4O3.C21H29N5O3/c1-14(2)32-22(30)18-11-26-21-17(5-8-25-21)20(18)27(4)19-13-29(9-6-15(19)3)23(31)28-10-7-16(24)12-28;1-15(2)31-22(29)18-13-25-21-17(7-9-24-21)20(18)26(4)19-14-28(12-8-16(19)3)23(30)27-10-5-6-11-27;1-4-30-21(28)17-13-24-20-16(7-9-23-20)19(17)25(3)18-14-27(12-8-15(18)2)22(29)26-10-5-6-11-26;1-14-9-11-26(21(27)15-6-4-5-7-15)13-18(14)25(2)19-16-8-10-23-20(16)24-12-17(19)22(28)29-3;1-14-7-11-26(21(28)25-9-4-5-10-25)13-17(14)24(2)18-15-6-8-22-19(15)23-12-16(18)20(27)29-3/h5,8,11,14-16,19H,6-7,9-10,12-13H2,1-4H3,(H,25,26);7,9,13,15-16,19H,5-6,8,10-12,14H2,1-4H3,(H,24,25);7,9,13,15,18H,4-6,8,10-12,14H2,1-3H3,(H,23,24);8,10,12,14-15,18H,4-7,9,11,13H2,1-3H3,(H,23,24);6,8,12,14,17H,4-5,7,9-11,13H2,1-3H3,(H,22,23)/t15-,16+,19+;16-,19+;15-,18+;14-,18+;14-,17+/m11111/s1
InChIKeyLPCMVYITJDAOQA-DIBRUCTBSA-N
XLogP15.96
TPSA405.61 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002084.61
LogP ≤ 515.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[[(3R,4R)-1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[[(3R,4R)-1-[(3S)-3-fluoropyrrolidine-1-carbonyl]-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

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CID 138595485
US10981906, Example 127
CID 138595422
US10981906, Example 124
CID 138595432
US10981906, Example 1
CID 138595461
US10981906, Example 129
CID 138595505
US10981906, Example 125
CID 138595511
US10981906, Example 3
CID 138595595
US10981906, Example 34
CID 138624621
ethyl 4-[[(3S,4R)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 59291865
ethyl 4-[[(3R,4S)-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 59291895
benzyl 3-[6-[[1-(cyclopentanecarbonyl)-3-[4-oxo-6-[[3-(4-oxo-7H-pyrrolo[2,3-h][1,6]naphthyridin-1-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-1-yl]piperidin-4-yl]methyl]-4-oxo-7H-pyrrolo[2,3-h][1,6]naphthyridin-6-ium-1-yl]-4-methylpiperidine-1-carboxylate
CID 123693581
propyl 4-[[(3R)-1-[(1S)-2,2-difluorocyclopropanecarbonyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138595328

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[[(3R,4R)-1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[[(3R,4R)-1-[(3S)-3-fluoropyrrolidine-1-carbonyl]-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[[(3R,4R)-1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[[(3R,4R)-1-[(3S)-3-fluoropyrrolidine-1-carbonyl]-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (CID 159415469) is ethyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[[(3R,4R)-1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[[(3R,4R)-1-[(3S)-3-fluoropyrrolidine-1-carbonyl]-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[[(3R,4R)-1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[[(3R,4R)-1-[(3S)-3-fluoropyrrolidine-1-carbonyl]-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[[(3R,4R)-1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[[(3R,4R)-1-[(3S)-3-fluoropyrrolidine-1-carbonyl]-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is CC(C)OC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CN(C(=O)N2CCCC2)CC[C@H]1C.CC(C)OC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CN(C(=O)N2CC[C@H](F)C2)CC[C@H]1C.CCOC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CN(C(=O)N2CCCC2)CC[C@H]1C.COC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CN(C(=O)C2CCCC2)CC[C@H]1C.COC(=O)c1cnc2[nH]ccc2c1N(C)[C@H]1CN(C(=O)N2CCCC2)CC[C@H]1C.
What is the InChIKey of ethyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[[(3R,4R)-1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[[(3R,4R)-1-[(3S)-3-fluoropyrrolidine-1-carbonyl]-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The InChIKey is LPCMVYITJDAOQA-DIBRUCTBSA-N. The full InChI is InChI=1S/C23H32FN5O3.C23H33N5O3.C22H31N5O3.C22H30N4O3.C21H29N5O3/c1-14(2)32-22(30)18-11-26-21-17(5-8-25-21)20(18)27(4)19-13-29(9-6-15(19)3)23(31)28-10-7-16(24)12-28;1-15(2)31-22(29)18-13-25-21-17(7-9-24-21)20(18)26(4)19-14-28(12-8-16(19)3)23(30)27-10-5-6-11-27;1-4-30-21(28)17-13-24-20-16(7-9-23-20)19(17)25(3)18-14-27(12-8-15(18)2)22(29)26-10-5-6-11-26;1-14-9-11-26(21(27)15-6-4-5-7-15)13-18(14)25(2)19-16-8-10-23-20(16)24-12-17(19)22(28)29-3;1-14-7-11-26(21(28)25-9-4-5-10-25)13-17(14)24(2)18-15-6-8-22-19(15)23-12-16(18)20(27)29-3/h5,8,11,14-16,19H,6-7,9-10,12-13H2,1-4H3,(H,25,26);7,9,13,15-16,19H,5-6,8,10-12,14H2,1-4H3,(H,24,25);7,9,13,15,18H,4-6,8,10-12,14H2,1-3H3,(H,23,24);8,10,12,14-15,18H,4-7,9,11,13H2,1-3H3,(H,23,24);6,8,12,14,17H,4-5,7,9-11,13H2,1-3H3,(H,22,23)/t15-,16+,19+;16-,19+;15-,18+;14-,18+;14-,17+/m11111/s1.
What are the key properties of ethyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[[(3R,4R)-1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[[(3R,4R)-1-[(3S)-3-fluoropyrrolidine-1-carbonyl]-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
ethyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[[(3R,4R)-1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[[(3R,4R)-1-[(3S)-3-fluoropyrrolidine-1-carbonyl]-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate has a molecular weight of 2084.61 g/mol, XLogP of 15.96, 19 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[[(3R,4R)-1-(cyclopentanecarbonyl)-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[[(3R,4R)-1-[(3S)-3-fluoropyrrolidine-1-carbonyl]-4-methylpiperidin-3-yl]-methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;propan-2-yl 4-[methyl-[(3R,4R)-4-methyl-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 159415469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).