benzyl 3-amino-5-methylpiperidine-1-carboxylate;benzyl 3-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(3S,5R)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[(3R,5S)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-(5-methylpiperidin-3-yl)-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

C136H161ClN34O17Si2 — CID 160822914

IUPACbenzyl 3-amino-5-methylpiperidine-1-carboxylate;benzyl 3-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(3S,5R)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[(3R,5S)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-(5-methylpiperidin-3-yl)-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCC1CC(N)CN(C(=O)OCc2ccccc2)C1.CC1CC(Nc2c(-c3ncco3)cnc3[nH]ccc23)CN(C(=O)CC#N)C1.CC1CC(Nc2c(-c3ncco3)cnc3c2ccn3COCC[Si](C)(C)C)CN(C(=O)OCc2ccccc2)C1.CC1CNCC(Nc2c(-c3ncco3)cnc3[nH]ccc23)C1.C[C@@H]1C[C@H](Nc2c(-c3ncco3)cnc3[nH]ccc23)CN(C(=O)CC#N)C1.C[C@H]1C[C@@H](Nc2c(-c3ncco3)cnc3[nH]ccc23)CN(C(=O)CC#N)C1.C[Si](C)(C)CCOCn1ccc2c(Cl)c(-c3ncco3)cnc21.N#CCC(=O)O
InChIInChI=1S/C30H39N5O4Si.3C19H20N6O2.C16H20ClN3O2Si.C16H19N5O.C14H20N2O2.C3H3NO2/c1-22-16-24(19-35(18-22)30(36)39-20-23-8-6-5-7-9-23)33-27-25-10-12-34(21-37-14-15-40(2,3)4)28(25)32-17-26(27)29-31-11-13-38-29;3*1-12-8-13(11-25(10-12)16(26)2-4-20)24-17-14-3-5-21-18(14)23-9-15(17)19-22-6-7-27-19;1-23(2,3)9-8-21-11-20-6-4-12-14(17)13(10-19-15(12)20)16-18-5-7-22-16;1-10-6-11(8-17-7-10)21-14-12-2-3-18-15(12)20-9-13(14)16-19-4-5-22-16;1-11-7-13(15)9-16(8-11)14(17)18-10-12-5-3-2-4-6-12;4-2-1-3(5)6/h5-13,17,22,24H,14-16,18-21H2,1-4H3,(H,32,33);3*3,5-7,9,12-13H,2,8,10-11H2,1H3,(H2,21,23,24);4-7,10H,8-9,11H2,1-3H3;2-5,9-11,17H,6-8H2,1H3,(H2,18,20,21);2-6,11,13H,7-10,15H2,1H3;1H2,(H,5,6)/t;2*12-,13+;;;;;/m.10...../s1
InChIKeySFTYISJQILNILU-MJXGFDSBSA-N
MW2635.63 g/mol
LogP24.07
Rot. Bonds34

About benzyl 3-amino-5-methylpiperidine-1-carboxylate;benzyl 3-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(3S,5R)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[(3R,5S)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-(5-methylpiperidin-3-yl)-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

benzyl 3-amino-5-methylpiperidine-1-carboxylate;benzyl 3-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(3S,5R)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[(3R,5S)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-(5-methylpiperidin-3-yl)-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 160822914) has the molecular formula C136H161ClN34O17Si2 and a molecular weight of 2635.63 g/mol. Its IUPAC name is benzyl 3-amino-5-methylpiperidine-1-carboxylate;benzyl 3-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(3S,5R)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[(3R,5S)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-(5-methylpiperidin-3-yl)-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Namebenzyl 3-amino-5-methylpiperidine-1-carboxylate;benzyl 3-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(3S,5R)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[(3R,5S)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-(5-methylpiperidin-3-yl)-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID160822914
Molecular FormulaC136H161ClN34O17Si2
Molecular Weight2635.63 g/mol
Exact Mass2633.20
IUPAC Namebenzyl 3-amino-5-methylpiperidine-1-carboxylate;benzyl 3-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(3S,5R)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[(3R,5S)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-(5-methylpiperidin-3-yl)-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCC1CC(N)CN(C(=O)OCc2ccccc2)C1.CC1CC(Nc2c(-c3ncco3)cnc3[nH]ccc23)CN(C(=O)CC#N)C1.CC1CC(Nc2c(-c3ncco3)cnc3c2ccn3COCC[Si](C)(C)C)CN(C(=O)OCc2ccccc2)C1.CC1CNCC(Nc2c(-c3ncco3)cnc3[nH]ccc23)C1.C[C@@H]1C[C@H](Nc2c(-c3ncco3)cnc3[nH]ccc23)CN(C(=O)CC#N)C1.C[C@H]1C[C@@H](Nc2c(-c3ncco3)cnc3[nH]ccc23)CN(C(=O)CC#N)C1.C[Si](C)(C)CCOCn1ccc2c(Cl)c(-c3ncco3)cnc21.N#CCC(=O)O
InChIInChI=1S/C30H39N5O4Si.3C19H20N6O2.C16H20ClN3O2Si.C16H19N5O.C14H20N2O2.C3H3NO2/c1-22-16-24(19-35(18-22)30(36)39-20-23-8-6-5-7-9-23)33-27-25-10-12-34(21-37-14-15-40(2,3)4)28(25)32-17-26(27)29-31-11-13-38-29;3*1-12-8-13(11-25(10-12)16(26)2-4-20)24-17-14-3-5-21-18(14)23-9-15(17)19-22-6-7-27-19;1-23(2,3)9-8-21-11-20-6-4-12-14(17)13(10-19-15(12)20)16-18-5-7-22-16;1-10-6-11(8-17-7-10)21-14-12-2-3-18-15(12)20-9-13(14)16-19-4-5-22-16;1-11-7-13(15)9-16(8-11)14(17)18-10-12-5-3-2-4-6-12;4-2-1-3(5)6/h5-13,17,22,24H,14-16,18-21H2,1-4H3,(H,32,33);3*3,5-7,9,12-13H,2,8,10-11H2,1H3,(H2,21,23,24);4-7,10H,8-9,11H2,1-3H3;2-5,9-11,17H,6-8H2,1H3,(H2,18,20,21);2-6,11,13H,7-10,15H2,1H3;1H2,(H,5,6)/t;2*12-,13+;;;;;/m.10...../s1
InChIKeySFTYISJQILNILU-MJXGFDSBSA-N
XLogP24.07
TPSA675.67 Ų
H-Bond Donors12
H-Bond Acceptors41
Rotatable Bonds34
Heavy Atoms190
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002635.63
LogP ≤ 524.07
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze benzyl 3-amino-5-methylpiperidine-1-carboxylate;benzyl 3-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(3S,5R)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[(3R,5S)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-(5-methylpiperidin-3-yl)-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of benzyl 3-amino-5-methylpiperidine-1-carboxylate;benzyl 3-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(3S,5R)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[(3R,5S)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-(5-methylpiperidin-3-yl)-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of benzyl 3-amino-5-methylpiperidine-1-carboxylate;benzyl 3-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(3S,5R)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[(3R,5S)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-(5-methylpiperidin-3-yl)-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 160822914) is benzyl 3-amino-5-methylpiperidine-1-carboxylate;benzyl 3-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(3S,5R)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[(3R,5S)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-(5-methylpiperidin-3-yl)-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for benzyl 3-amino-5-methylpiperidine-1-carboxylate;benzyl 3-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(3S,5R)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[(3R,5S)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-(5-methylpiperidin-3-yl)-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for benzyl 3-amino-5-methylpiperidine-1-carboxylate;benzyl 3-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(3S,5R)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[(3R,5S)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-(5-methylpiperidin-3-yl)-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is CC1CC(N)CN(C(=O)OCc2ccccc2)C1.CC1CC(Nc2c(-c3ncco3)cnc3[nH]ccc23)CN(C(=O)CC#N)C1.CC1CC(Nc2c(-c3ncco3)cnc3c2ccn3COCC[Si](C)(C)C)CN(C(=O)OCc2ccccc2)C1.CC1CNCC(Nc2c(-c3ncco3)cnc3[nH]ccc23)C1.C[C@@H]1C[C@H](Nc2c(-c3ncco3)cnc3[nH]ccc23)CN(C(=O)CC#N)C1.C[C@H]1C[C@@H](Nc2c(-c3ncco3)cnc3[nH]ccc23)CN(C(=O)CC#N)C1.C[Si](C)(C)CCOCn1ccc2c(Cl)c(-c3ncco3)cnc21.N#CCC(=O)O.
What is the InChIKey of benzyl 3-amino-5-methylpiperidine-1-carboxylate;benzyl 3-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(3S,5R)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[(3R,5S)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-(5-methylpiperidin-3-yl)-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is SFTYISJQILNILU-MJXGFDSBSA-N. The full InChI is InChI=1S/C30H39N5O4Si.3C19H20N6O2.C16H20ClN3O2Si.C16H19N5O.C14H20N2O2.C3H3NO2/c1-22-16-24(19-35(18-22)30(36)39-20-23-8-6-5-7-9-23)33-27-25-10-12-34(21-37-14-15-40(2,3)4)28(25)32-17-26(27)29-31-11-13-38-29;3*1-12-8-13(11-25(10-12)16(26)2-4-20)24-17-14-3-5-21-18(14)23-9-15(17)19-22-6-7-27-19;1-23(2,3)9-8-21-11-20-6-4-12-14(17)13(10-19-15(12)20)16-18-5-7-22-16;1-10-6-11(8-17-7-10)21-14-12-2-3-18-15(12)20-9-13(14)16-19-4-5-22-16;1-11-7-13(15)9-16(8-11)14(17)18-10-12-5-3-2-4-6-12;4-2-1-3(5)6/h5-13,17,22,24H,14-16,18-21H2,1-4H3,(H,32,33);3*3,5-7,9,12-13H,2,8,10-11H2,1H3,(H2,21,23,24);4-7,10H,8-9,11H2,1-3H3;2-5,9-11,17H,6-8H2,1H3,(H2,18,20,21);2-6,11,13H,7-10,15H2,1H3;1H2,(H,5,6)/t;2*12-,13+;;;;;/m.10...../s1.
What are the key properties of benzyl 3-amino-5-methylpiperidine-1-carboxylate;benzyl 3-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(3S,5R)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[(3R,5S)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-(5-methylpiperidin-3-yl)-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
benzyl 3-amino-5-methylpiperidine-1-carboxylate;benzyl 3-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(3S,5R)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[(3R,5S)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-(5-methylpiperidin-3-yl)-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 2635.63 g/mol, XLogP of 24.07, 34 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-amino-5-methylpiperidine-1-carboxylate;benzyl 3-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(3S,5R)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[(3R,5S)-3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-[3-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-(5-methylpiperidin-3-yl)-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 160822914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).