About N-[(2S)-1-(4-acetylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-carbamoylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
N-[(2S)-1-(4-acetylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-carbamoylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 158253182) has the molecular formula C134H144Cl6N28O17
and a molecular weight of 2631.52 g/mol. Its IUPAC name is N-[(2S)-1-(4-acetylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-carbamoylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-[(2S)-1-(4-acetylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-carbamoylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-(4-acetylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-carbamoylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 158253182) is N-[(2S)-1-(4-acetylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-carbamoylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(4-acetylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-carbamoylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(4-acetylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-carbamoylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc(Cl)ncc3[nH]2)CC1.CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc(Cl)ncc3[nH]2)CC1.NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc(Cl)ncc3[nH]2)CC1.O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC(CO)CC1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(CCO)CC1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)C(=O)NCCCO)c1cc2cc(Cl)ncc2[nH]1.
What is the InChIKey of N-[(2S)-1-(4-acetylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-carbamoylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is GGYQYWHINULWFI-PNRUDGCHSA-N. The full InChI is InChI=1S/2C23H24ClN5O3.C23H26ClN5O3.C23H25ClN4O3.C22H24ClN5O2.C20H21ClN4O3/c1-15(30)28-7-9-29(10-8-28)23(32)19(11-16-5-3-2-4-6-16)27-22(31)18-12-17-13-21(24)25-14-20(17)26-18;24-20-12-16-11-17(27-19(16)13-26-20)22(31)28-18(10-14-4-2-1-3-5-14)23(32)29-8-6-15(7-9-29)21(25)30;24-21-14-17-13-18(26-20(17)15-25-21)22(31)27-19(12-16-4-2-1-3-5-16)23(32)29-8-6-28(7-9-29)10-11-30;24-21-12-17-11-18(26-20(17)13-25-21)22(30)27-19(10-15-4-2-1-3-5-15)23(31)28-8-6-16(14-29)7-9-28;1-27-7-9-28(10-8-27)22(30)18(11-15-5-3-2-4-6-15)26-21(29)17-12-16-13-20(23)24-14-19(16)25-17;21-18-11-14-10-16(24-17(14)12-23-18)20(28)25-15(19(27)22-7-4-8-26)9-13-5-2-1-3-6-13/h2-6,12-14,19,26H,7-11H2,1H3,(H,27,31);1-5,11-13,15,18,27H,6-10H2,(H2,25,30)(H,28,31);1-5,13-15,19,26,30H,6-12H2,(H,27,31);1-5,11-13,16,19,26,29H,6-10,14H2,(H,27,30);2-6,12-14,18,25H,7-11H2,1H3,(H,26,29);1-3,5-6,10-12,15,24,26H,4,7-9H2,(H,22,27)(H,25,28)/t19-;18-;2*19-;18-;15-/m000000/s1.
What are the key properties of N-[(2S)-1-(4-acetylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-carbamoylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-[(2S)-1-(4-acetylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-carbamoylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 2631.52 g/mol, XLogP of 13.40, 37 rotatable bonds, 17 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-acetylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-carbamoylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 158253182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).