N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide

C87H95Br3N28O8 — CID 159727850

IUPACN-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
SMILESCC(C)NCCC(=O)N1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)CC1.NCC(=O)N1CCN(c2c(-c3ccccc3)cnc3[nH]cc(NC(=O)c4cccnc4)c23)CC1.NCC(=O)N1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)CC1.NCCC(=O)N1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)CC1
InChIInChI=1S/C25H25N7O2.C23H28BrN7O2.C20H22BrN7O2.C19H20BrN7O2/c26-13-21(33)31-9-11-32(12-10-31)23-19(17-5-2-1-3-6-17)15-28-24-22(23)20(16-29-24)30-25(34)18-7-4-8-27-14-18;1-15(2)26-7-5-19(32)30-8-10-31(11-9-30)21-17(24)13-27-22-20(21)18(14-28-22)29-23(33)16-4-3-6-25-12-16;21-14-11-24-19-17(15(12-25-19)26-20(30)13-2-1-5-23-10-13)18(14)28-8-6-27(7-9-28)16(29)3-4-22;20-13-10-23-18-16(17(13)27-6-4-26(5-7-27)15(28)8-21)14(11-24-18)25-19(29)12-2-1-3-22-9-12/h1-8,14-16H,9-13,26H2,(H,28,29)(H,30,34);3-4,6,12-15,26H,5,7-11H2,1-2H3,(H,27,28)(H,29,33);1-2,5,10-12H,3-4,6-9,22H2,(H,24,25)(H,26,30);1-3,9-11H,4-8,21H2,(H,23,24)(H,25,29)
InChIKeyNAVYRPZHNBSHGM-UHFFFAOYSA-N
MW1900.62 g/mol
LogP9.04
Rot. Bonds21

About N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide

N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide (PubChem CID 159727850) has the molecular formula C87H95Br3N28O8 and a molecular weight of 1900.62 g/mol. Its IUPAC name is N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
PubChem CID159727850
Molecular FormulaC87H95Br3N28O8
Molecular Weight1900.62 g/mol
Exact Mass1896.54
IUPAC NameN-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
SMILESCC(C)NCCC(=O)N1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)CC1.NCC(=O)N1CCN(c2c(-c3ccccc3)cnc3[nH]cc(NC(=O)c4cccnc4)c23)CC1.NCC(=O)N1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)CC1.NCCC(=O)N1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)CC1
InChIInChI=1S/C25H25N7O2.C23H28BrN7O2.C20H22BrN7O2.C19H20BrN7O2/c26-13-21(33)31-9-11-32(12-10-31)23-19(17-5-2-1-3-6-17)15-28-24-22(23)20(16-29-24)30-25(34)18-7-4-8-27-14-18;1-15(2)26-7-5-19(32)30-8-10-31(11-9-30)21-17(24)13-27-22-20(21)18(14-28-22)29-23(33)16-4-3-6-25-12-16;21-14-11-24-19-17(15(12-25-19)26-20(30)13-2-1-5-23-10-13)18(14)28-8-6-27(7-9-28)16(29)3-4-22;20-13-10-23-18-16(17(13)27-6-4-26(5-7-27)15(28)8-21)14(11-24-18)25-19(29)12-2-1-3-22-9-12/h1-8,14-16H,9-13,26H2,(H,28,29)(H,30,34);3-4,6,12-15,26H,5,7-11H2,1-2H3,(H,27,28)(H,29,33);1-2,5,10-12H,3-4,6-9,22H2,(H,24,25)(H,26,30);1-3,9-11H,4-8,21H2,(H,23,24)(H,25,29)
InChIKeyNAVYRPZHNBSHGM-UHFFFAOYSA-N
XLogP9.04
TPSA466.97 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001900.62
LogP ≤ 59.04
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 90683866
1-[(R)-2-Methyl-4-(1-phenyl-methanoyl)-piperazin-1-yl]-2-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-ethane-1,2-dione and 1-[(R)-2-methyl-4-(1-phenyl-methanoyl)-piperazin-1-yl]-2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-ethane-1,2-dione
CID 5495809
[2-[6-[(3aS,7aR)-6-[2-[4-ethenyl-5-(methylideneamino)-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 129235992
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[5-[6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 129236564
4-[(3R)-3-aminopiperidin-1-yl]-3-[1-benzyl-4-[(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamoyl]pyrazol-3-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 136622028
[2-[5-[(3aS,7aR)-6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 155131871
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[6-[6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 155132028
N-[4-(3-amino-3-methylpyrrolidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrazole-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide
CID 157393710
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 157628126
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]oxolane-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]quinoxaline-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazine-2-carboxamide;N-[5-bromo-4-[(3R)-3-(2-cyclopropylethyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[(3R)-3-(3-methylbutyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 157756561
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylpropanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 157957750
N-[4-(3-amino-3-methylpiperidin-1-yl)-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methoxycyclopropane-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methylsulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[(3R)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 160038500

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide (CID 159727850) is N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide is CC(C)NCCC(=O)N1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)CC1.NCC(=O)N1CCN(c2c(-c3ccccc3)cnc3[nH]cc(NC(=O)c4cccnc4)c23)CC1.NCC(=O)N1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)CC1.NCCC(=O)N1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)CC1.
What is the InChIKey of N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
The InChIKey is NAVYRPZHNBSHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2.C23H28BrN7O2.C20H22BrN7O2.C19H20BrN7O2/c26-13-21(33)31-9-11-32(12-10-31)23-19(17-5-2-1-3-6-17)15-28-24-22(23)20(16-29-24)30-25(34)18-7-4-8-27-14-18;1-15(2)26-7-5-19(32)30-8-10-31(11-9-30)21-17(24)13-27-22-20(21)18(14-28-22)29-23(33)16-4-3-6-25-12-16;21-14-11-24-19-17(15(12-25-19)26-20(30)13-2-1-5-23-10-13)18(14)28-8-6-27(7-9-28)16(29)3-4-22;20-13-10-23-18-16(17(13)27-6-4-26(5-7-27)15(28)8-21)14(11-24-18)25-19(29)12-2-1-3-22-9-12/h1-8,14-16H,9-13,26H2,(H,28,29)(H,30,34);3-4,6,12-15,26H,5,7-11H2,1-2H3,(H,27,28)(H,29,33);1-2,5,10-12H,3-4,6-9,22H2,(H,24,25)(H,26,30);1-3,9-11H,4-8,21H2,(H,23,24)(H,25,29).
What are the key properties of N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide has a molecular weight of 1900.62 g/mol, XLogP of 9.04, 21 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(2-aminoacetyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 159727850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).