N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide

C106H122Br6N36O7 — CID 157429020

IUPACN-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide
SMILESCOc1cccc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)n1.Cc1cccnc1C(=O)Nc1c[nH]c2ncc(Br)c(N3CCC[C@@H](N)C3)c12.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)C4CC4)c23)C1.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)C4CCCC4)c23)C1.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cnccn4)c23)C1.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4ncccn4)c23)C1
InChIInChI=1S/C19H21BrN6O2.C19H21BrN6O.C18H24BrN5O.2C17H18BrN7O.C16H20BrN5O/c1-28-15-6-2-5-13(24-15)19(27)25-14-9-23-18-16(14)17(12(20)8-22-18)26-7-3-4-11(21)10-26;1-11-4-2-6-22-16(11)19(27)25-14-9-24-18-15(14)17(13(20)8-23-18)26-7-3-5-12(21)10-26;19-13-8-21-17-15(16(13)24-7-3-6-12(20)10-24)14(9-22-17)23-18(25)11-4-1-2-5-11;18-11-7-22-15-13(14(11)25-6-1-3-10(19)9-25)12(8-23-15)24-17(26)16-20-4-2-5-21-16;18-11-6-22-16-14(15(11)25-5-1-2-10(19)9-25)12(8-23-16)24-17(26)13-7-20-3-4-21-13;17-11-6-19-15-13(14(11)22-5-1-2-10(18)8-22)12(7-20-15)21-16(23)9-3-4-9/h2,5-6,8-9,11H,3-4,7,10,21H2,1H3,(H,22,23)(H,25,27);2,4,6,8-9,12H,3,5,7,10,21H2,1H3,(H,23,24)(H,25,27);8-9,11-12H,1-7,10,20H2,(H,21,22)(H,23,25);2,4-5,7-8,10H,1,3,6,9,19H2,(H,22,23)(H,24,26);3-4,6-8,10H,1-2,5,9,19H2,(H,22,23)(H,24,26);6-7,9-10H,1-5,8,18H2,(H,19,20)(H,21,23)/t11-;2*12-;3*10-/m111111/s1
InChIKeyBQHPMBRAYVFLIQ-URWRUMQYSA-N
MW2491.81 g/mol
LogP16.69
Rot. Bonds19

About N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide

N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide (PubChem CID 157429020) has the molecular formula C106H122Br6N36O7 and a molecular weight of 2491.81 g/mol. Its IUPAC name is N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide
PubChem CID157429020
Molecular FormulaC106H122Br6N36O7
Molecular Weight2491.81 g/mol
Exact Mass2484.54
IUPAC NameN-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide
SMILESCOc1cccc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)n1.Cc1cccnc1C(=O)Nc1c[nH]c2ncc(Br)c(N3CCC[C@@H](N)C3)c12.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)C4CC4)c23)C1.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)C4CCCC4)c23)C1.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cnccn4)c23)C1.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4ncccn4)c23)C1
InChIInChI=1S/C19H21BrN6O2.C19H21BrN6O.C18H24BrN5O.2C17H18BrN7O.C16H20BrN5O/c1-28-15-6-2-5-13(24-15)19(27)25-14-9-23-18-16(14)17(12(20)8-22-18)26-7-3-4-11(21)10-26;1-11-4-2-6-22-16(11)19(27)25-14-9-24-18-15(14)17(13(20)8-23-18)26-7-3-5-12(21)10-26;19-13-8-21-17-15(16(13)24-7-3-6-12(20)10-24)14(9-22-17)23-18(25)11-4-1-2-5-11;18-11-7-22-15-13(14(11)25-6-1-3-10(19)9-25)12(8-23-15)24-17(26)16-20-4-2-5-21-16;18-11-6-22-16-14(15(11)25-5-1-2-10(19)9-25)12(8-23-16)24-17(26)13-7-20-3-4-21-13;17-11-6-19-15-13(14(11)22-5-1-2-10(18)8-22)12(7-20-15)21-16(23)9-3-4-9/h2,5-6,8-9,11H,3-4,7,10,21H2,1H3,(H,22,23)(H,25,27);2,4,6,8-9,12H,3,5,7,10,21H2,1H3,(H,23,24)(H,25,27);8-9,11-12H,1-7,10,20H2,(H,21,22)(H,23,25);2,4-5,7-8,10H,1,3,6,9,19H2,(H,22,23)(H,24,26);3-4,6-8,10H,1-2,5,9,19H2,(H,22,23)(H,24,26);6-7,9-10H,1-5,8,18H2,(H,19,20)(H,21,23)/t11-;2*12-;3*10-/m111111/s1
InChIKeyBQHPMBRAYVFLIQ-URWRUMQYSA-N
XLogP16.69
TPSA608.81 Ų
H-Bond Donors18
H-Bond Acceptors31
Rotatable Bonds19
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002491.81
LogP ≤ 516.69
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1031

Analyze N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide
CID 58195538
N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide
CID 60205375
N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;hydrochloride
CID 60205377
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;hydrochloride
CID 67045060
(R)-tert-butyl 1-(5-bromo-3-(6-methoxypicolinamido)-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-ylcarbamate
CID 67045126
tert-butyl N-[1-[5-bromo-3-[(6-methoxypyridine-2-carbonyl)amino]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl]carbamate
CID 67045127
[1-[5-bromo-3-[(6-methoxypyridine-2-carbonyl)amino]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl]carbamic acid
CID 67045463
tert-butyl N-[5-bromo-3-[(6-methoxypyridine-2-carbonyl)amino]-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]carbamate
CID 91353440
3-[[5-bromo-6-[4-(dimethylamino)piperidine-1-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,7-dihydropyrrolo[3,4-b]pyridin-2-one;5-bromo-4-[(2-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;5-bromo-4-[(2-oxo-1,7-dihydropyrrolo[3,4-b]pyridin-3-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 157221459
5-bromo-4-[(2-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;3-[[5-bromo-6-[(3S)-3-methylmorpholine-4-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,7-dihydropyrrolo[3,4-b]pyridin-2-one;5-bromo-4-[(2-oxo-1,7-dihydropyrrolo[3,4-b]pyridin-3-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 158115400
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluorobenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methylbenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylcyclopropane-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylpyridine-3-carboxamide;N-[4-(3-aminopyridin-1-ium-1-yl)-5-bromo-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-2-carboxamide
CID 158121726
5-bromo-4-[(2-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid;[5-bromo-4-[(2-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-[4-(dimethylamino)piperidin-1-yl]methanone;5-bromo-4-[(2-oxo-1,7-dihydropyrrolo[3,4-b]pyridin-3-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 158223086

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide (CID 157429020) is N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide is COc1cccc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)n1.Cc1cccnc1C(=O)Nc1c[nH]c2ncc(Br)c(N3CCC[C@@H](N)C3)c12.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)C4CC4)c23)C1.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)C4CCCC4)c23)C1.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cnccn4)c23)C1.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4ncccn4)c23)C1.
What is the InChIKey of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide?
The InChIKey is BQHPMBRAYVFLIQ-URWRUMQYSA-N. The full InChI is InChI=1S/C19H21BrN6O2.C19H21BrN6O.C18H24BrN5O.2C17H18BrN7O.C16H20BrN5O/c1-28-15-6-2-5-13(24-15)19(27)25-14-9-23-18-16(14)17(12(20)8-22-18)26-7-3-4-11(21)10-26;1-11-4-2-6-22-16(11)19(27)25-14-9-24-18-15(14)17(13(20)8-23-18)26-7-3-5-12(21)10-26;19-13-8-21-17-15(16(13)24-7-3-6-12(20)10-24)14(9-22-17)23-18(25)11-4-1-2-5-11;18-11-7-22-15-13(14(11)25-6-1-3-10(19)9-25)12(8-23-15)24-17(26)16-20-4-2-5-21-16;18-11-6-22-16-14(15(11)25-5-1-2-10(19)9-25)12(8-23-16)24-17(26)13-7-20-3-4-21-13;17-11-6-19-15-13(14(11)22-5-1-2-10(18)8-22)12(7-20-15)21-16(23)9-3-4-9/h2,5-6,8-9,11H,3-4,7,10,21H2,1H3,(H,22,23)(H,25,27);2,4,6,8-9,12H,3,5,7,10,21H2,1H3,(H,23,24)(H,25,27);8-9,11-12H,1-7,10,20H2,(H,21,22)(H,23,25);2,4-5,7-8,10H,1,3,6,9,19H2,(H,22,23)(H,24,26);3-4,6-8,10H,1-2,5,9,19H2,(H,22,23)(H,24,26);6-7,9-10H,1-5,8,18H2,(H,19,20)(H,21,23)/t11-;2*12-;3*10-/m111111/s1.
What are the key properties of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide?
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide has a molecular weight of 2491.81 g/mol, XLogP of 16.69, 19 rotatable bonds, 18 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 157429020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).