About N-[(2S)-1-[4-(aminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-aminopiperidin-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,4-diazepan-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
N-[(2S)-1-[4-(aminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-aminopiperidin-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,4-diazepan-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 158334793) has the molecular formula C131H136Cl6F6N30O12
and a molecular weight of 2649.43 g/mol. Its IUPAC name is N-[(2S)-1-[4-(aminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-aminopiperidin-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,4-diazepan-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-[(2S)-1-[4-(aminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-aminopiperidin-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,4-diazepan-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-[4-(aminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-aminopiperidin-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,4-diazepan-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 158334793) is N-[(2S)-1-[4-(aminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-aminopiperidin-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,4-diazepan-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[4-(aminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-aminopiperidin-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,4-diazepan-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[4-(aminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-aminopiperidin-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,4-diazepan-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is NC1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc3cc(Cl)ncc3[nH]2)CC1.NCC1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc3cc(Cl)ncc3[nH]2)CC1.N[C@@H]1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc3cc(Cl)ncc3[nH]2)C1.N[C@H]1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc3cc(Cl)ncc3[nH]2)C1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCNCC1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCNCC1)c1cc2cc(Cl)ncc2[nH]1.
What is the InChIKey of N-[(2S)-1-[4-(aminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-aminopiperidin-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,4-diazepan-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is GQLIIVRKGVQFOJ-BXAFZBONSA-N. The full InChI is InChI=1S/C23H25ClFN5O2.3C22H23ClFN5O2.2C21H21ClFN5O2/c24-21-11-16-10-18(28-20(16)13-27-21)22(31)29-19(9-14-1-3-17(25)4-2-14)23(32)30-7-5-15(12-26)6-8-30;23-20-12-15-11-17(27-19(15)13-26-20)21(30)28-18(10-14-2-4-16(24)5-3-14)22(31)29-8-1-6-25-7-9-29;23-20-11-14-10-17(27-19(14)12-26-20)21(30)28-18(9-13-1-3-15(24)4-2-13)22(31)29-7-5-16(25)6-8-29;23-20-11-14-10-18(28-19(14)12-26-20)22(31)29-17(9-13-1-3-15(24)4-2-13)21(30)27-16-5-7-25-8-6-16;2*22-19-9-13-8-16(26-18(13)10-25-19)20(29)27-17(7-12-1-3-14(23)4-2-12)21(30)28-6-5-15(24)11-28/h1-4,10-11,13,15,19,28H,5-9,12,26H2,(H,29,31);2-5,11-13,18,25,27H,1,6-10H2,(H,28,30);1-4,10-12,16,18,27H,5-9,25H2,(H,28,30);1-4,10-12,16-17,25,28H,5-9H2,(H,27,30)(H,29,31);2*1-4,8-10,15,17,26H,5-7,11,24H2,(H,27,29)/t19-;2*18-;17-;15-,17+;15-,17-/m000010/s1.
What are the key properties of N-[(2S)-1-[4-(aminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-aminopiperidin-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,4-diazepan-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-[(2S)-1-[4-(aminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-aminopiperidin-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,4-diazepan-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 2649.43 g/mol, XLogP of 15.14, 32 rotatable bonds, 19 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(aminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-(4-aminopiperidin-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,4-diazepan-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 158334793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).