(6-amino-3-pyridinyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride

C93H82Cl6F9N21O5 — CID 159517356

About (6-amino-3-pyridinyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride

(6-amino-3-pyridinyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride (PubChem CID 159517356) has the molecular formula C93H82Cl6F9N21O5 and a molecular weight of 1957.52 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride.

Molecular Properties

• Compound Name: (6-amino-3-pyridinyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride
• PubChem CID: 159517356
• Molecular Formula: C93H82Cl6F9N21O5
• Molecular Weight: 1957.52 g/mol
• Exact Mass: 1953.48
• IUPAC Name: (6-amino-3-pyridinyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride
• SMILES: COc1ccc(C(F)(F)F)nc1.COc1ccc(NC(=O)OC(C)(C)C)nc1.Cl.Clc1cnc2[nH]ccc2c1.FC(F)(F)c1ccc(CCc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1.FC(F)(F)c1ccc(CCc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1.Nc1ccc(C(O)c2c[nH]c3ncc(Cl)cc23)cn1.Nc1ccc(Cc2c[nH]c3ncc(Cl)cc23)cn1
• InChI: InChI=1S/2C21H16ClF3N4.C13H11ClN4O.C13H11ClN4.C11H16N2O3.C7H5ClN2.C7H6F3NO.ClH/c2*22-16-8-18-15(11-28-20(18)29-12-16)7-14-2-5-17(26-10-14)4-1-13-3-6-19(27-9-13)21(23,24)25;14-8-3-9-10(6-18-13(9)17-5-8)12(19)7-1-2-11(15)16-4-7;14-10-4-11-9(6-17-13(11)18-7-10)3-8-1-2-12(15)16-5-8;1-11(2,3)16-10(14)13-9-6-5-8(15-4)7-12-9;8-6-3-5-1-2-9-7(5)10-4-6;1-12-5-2-3-6(11-4-5)7(8,9)10;/h2*2-3,5-6,8-12H,1,4,7H2,(H,28,29);1-6,12,19H,(H2,15,16)(H,17,18);1-2,4-7H,3H2,(H2,15,16)(H,17,18);5-7H,1-4H3,(H,12,13,14);1-4H,(H,9,10);2-4H,1H3;1H
• InChIKey: UWPNIASPCUOEMY-UHFFFAOYSA-N
• XLogP: 23.05
• TPSA: 375.58 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1957.52
LogP ≤ 5	23.05
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride?

The IUPAC name of (6-amino-3-pyridinyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride (CID 159517356) is (6-amino-3-pyridinyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride.

What is the SMILES notation for (6-amino-3-pyridinyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride?

The canonical SMILES for (6-amino-3-pyridinyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride is COc1ccc(C(F)(F)F)nc1.COc1ccc(NC(=O)OC(C)(C)C)nc1.Cl.Clc1cnc2[nH]ccc2c1.FC(F)(F)c1ccc(CCc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1.FC(F)(F)c1ccc(CCc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1.Nc1ccc(C(O)c2c[nH]c3ncc(Cl)cc23)cn1.Nc1ccc(Cc2c[nH]c3ncc(Cl)cc23)cn1.

What is the InChIKey of (6-amino-3-pyridinyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride?

The InChIKey is UWPNIASPCUOEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H16ClF3N4.C13H11ClN4O.C13H11ClN4.C11H16N2O3.C7H5ClN2.C7H6F3NO.ClH/c2*22-16-8-18-15(11-28-20(18)29-12-16)7-14-2-5-17(26-10-14)4-1-13-3-6-19(27-9-13)21(23,24)25;14-8-3-9-10(6-18-13(9)17-5-8)12(19)7-1-2-11(15)16-4-7;14-10-4-11-9(6-17-13(11)18-7-10)3-8-1-2-12(15)16-5-8;1-11(2,3)16-10(14)13-9-6-5-8(15-4)7-12-9;8-6-3-5-1-2-9-7(5)10-4-6;1-12-5-2-3-6(11-4-5)7(8,9)10;/h2*2-3,5-6,8-12H,1,4,7H2,(H,28,29);1-6,12,19H,(H2,15,16)(H,17,18);1-2,4-7H,3H2,(H2,15,16)(H,17,18);5-7H,1-4H3,(H,12,13,14);1-4H,(H,9,10);2-4H,1H3;1H.

What are the key properties of (6-amino-3-pyridinyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride?

(6-amino-3-pyridinyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride has a molecular weight of 1957.52 g/mol, XLogP of 23.05, 17 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (6-amino-3-pyridinyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;tert-butyl N-(5-methoxy-2-pyridinyl)carbamate;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;bis(5-chloro-3-[[6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);5-methoxy-2-(trifluoromethyl)pyridine;hydrochloride is sourced from PubChem (CID 159517356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).