azane;3-(2-chloroethyl)-1H-pyrrolo[2,3-b]pyridine;2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(3-methylphenyl)sulfonyl-3-propylpyrrolo[2,3-b]pyridine;2-[1-(3-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine;3-propyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride

C77H84Cl3N17O5S2 — CID 159899798

About azane;3-(2-chloroethyl)-1H-pyrrolo[2,3-b]pyridine;2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(3-methylphenyl)sulfonyl-3-propylpyrrolo[2,3-b]pyridine;2-[1-(3-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine;3-propyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride

azane;3-(2-chloroethyl)-1H-pyrrolo[2,3-b]pyridine;2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(3-methylphenyl)sulfonyl-3-propylpyrrolo[2,3-b]pyridine;2-[1-(3-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine;3-propyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride (PubChem CID 159899798) has the molecular formula C77H84Cl3N17O5S2 and a molecular weight of 1498.13 g/mol. Its IUPAC name is azane;3-(2-chloroethyl)-1H-pyrrolo[2,3-b]pyridine;2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(3-methylphenyl)sulfonyl-3-propylpyrrolo[2,3-b]pyridine;2-[1-(3-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine;3-propyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride.

Molecular Properties

• Compound Name: azane;3-(2-chloroethyl)-1H-pyrrolo[2,3-b]pyridine;2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(3-methylphenyl)sulfonyl-3-propylpyrrolo[2,3-b]pyridine;2-[1-(3-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine;3-propyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride
• PubChem CID: 159899798
• Molecular Formula: C77H84Cl3N17O5S2
• Molecular Weight: 1498.13 g/mol
• Exact Mass: 1495.53
• IUPAC Name: azane;3-(2-chloroethyl)-1H-pyrrolo[2,3-b]pyridine;2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(3-methylphenyl)sulfonyl-3-propylpyrrolo[2,3-b]pyridine;2-[1-(3-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine;3-propyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride
• SMILES: CCCc1c[nH]c2ncccc12.CCCc1cn(S(=O)(=O)c2cccc(C)c2)c2ncccc12.Cc1cccc(S(=O)(=O)n2cc(CCN)c3cccnc32)c1.Cl.ClCCc1c[nH]c2ncccc12.N.NCCc1c[nH]c2ncccc12.O=C(CCl)c1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C17H18N2O2S.C16H17N3O2S.C10H12N2.C9H7ClN2O.C9H9ClN2.C9H11N3.C7H6N2.ClH.H3N/c1-3-6-14-12-19(17-16(14)9-5-10-18-17)22(20,21)15-8-4-7-13(2)11-15;1-12-4-2-5-14(10-12)22(20,21)19-11-13(7-8-17)15-6-3-9-18-16(15)19;1-2-4-8-7-12-10-9(8)5-3-6-11-10;10-4-8(13)7-5-12-9-6(7)2-1-3-11-9;2*10-4-3-7-6-12-9-8(7)2-1-5-11-9;1-2-6-3-5-9-7(6)8-4-1;;/h4-5,7-12H,3,6H2,1-2H3;2-6,9-11H,7-8,17H2,1H3;3,5-7H,2,4H2,1H3,(H,11,12);1-3,5H,4H2,(H,11,12);1-2,5-6H,3-4H2,(H,11,12);1-2,5-6H,3-4,10H2,(H,11,12);1-5H,(H,8,9);1H;1H3
• InChIKey: XCDKQKFJXCJTKD-UHFFFAOYSA-N
• XLogP: 15.67
• TPSA: 351.43 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1498.13
LogP ≤ 5	15.67
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azane;3-(2-chloroethyl)-1H-pyrrolo[2,3-b]pyridine;2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(3-methylphenyl)sulfonyl-3-propylpyrrolo[2,3-b]pyridine;2-[1-(3-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine;3-propyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride?

The IUPAC name of azane;3-(2-chloroethyl)-1H-pyrrolo[2,3-b]pyridine;2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(3-methylphenyl)sulfonyl-3-propylpyrrolo[2,3-b]pyridine;2-[1-(3-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine;3-propyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride (CID 159899798) is azane;3-(2-chloroethyl)-1H-pyrrolo[2,3-b]pyridine;2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(3-methylphenyl)sulfonyl-3-propylpyrrolo[2,3-b]pyridine;2-[1-(3-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine;3-propyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride.

What is the SMILES notation for azane;3-(2-chloroethyl)-1H-pyrrolo[2,3-b]pyridine;2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(3-methylphenyl)sulfonyl-3-propylpyrrolo[2,3-b]pyridine;2-[1-(3-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine;3-propyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride?

The canonical SMILES for azane;3-(2-chloroethyl)-1H-pyrrolo[2,3-b]pyridine;2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(3-methylphenyl)sulfonyl-3-propylpyrrolo[2,3-b]pyridine;2-[1-(3-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine;3-propyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride is CCCc1c[nH]c2ncccc12.CCCc1cn(S(=O)(=O)c2cccc(C)c2)c2ncccc12.Cc1cccc(S(=O)(=O)n2cc(CCN)c3cccnc32)c1.Cl.ClCCc1c[nH]c2ncccc12.N.NCCc1c[nH]c2ncccc12.O=C(CCl)c1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1.

What is the InChIKey of azane;3-(2-chloroethyl)-1H-pyrrolo[2,3-b]pyridine;2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(3-methylphenyl)sulfonyl-3-propylpyrrolo[2,3-b]pyridine;2-[1-(3-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine;3-propyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride?

The InChIKey is XCDKQKFJXCJTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S.C16H17N3O2S.C10H12N2.C9H7ClN2O.C9H9ClN2.C9H11N3.C7H6N2.ClH.H3N/c1-3-6-14-12-19(17-16(14)9-5-10-18-17)22(20,21)15-8-4-7-13(2)11-15;1-12-4-2-5-14(10-12)22(20,21)19-11-13(7-8-17)15-6-3-9-18-16(15)19;1-2-4-8-7-12-10-9(8)5-3-6-11-10;10-4-8(13)7-5-12-9-6(7)2-1-3-11-9;2*10-4-3-7-6-12-9-8(7)2-1-5-11-9;1-2-6-3-5-9-7(6)8-4-1;;/h4-5,7-12H,3,6H2,1-2H3;2-6,9-11H,7-8,17H2,1H3;3,5-7H,2,4H2,1H3,(H,11,12);1-3,5H,4H2,(H,11,12);1-2,5-6H,3-4H2,(H,11,12);1-2,5-6H,3-4,10H2,(H,11,12);1-5H,(H,8,9);1H;1H3.

What are the key properties of azane;3-(2-chloroethyl)-1H-pyrrolo[2,3-b]pyridine;2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(3-methylphenyl)sulfonyl-3-propylpyrrolo[2,3-b]pyridine;2-[1-(3-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine;3-propyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride?

azane;3-(2-chloroethyl)-1H-pyrrolo[2,3-b]pyridine;2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(3-methylphenyl)sulfonyl-3-propylpyrrolo[2,3-b]pyridine;2-[1-(3-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine;3-propyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride has a molecular weight of 1498.13 g/mol, XLogP of 15.67, 16 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for azane;3-(2-chloroethyl)-1H-pyrrolo[2,3-b]pyridine;2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;1-(3-methylphenyl)sulfonyl-3-propylpyrrolo[2,3-b]pyridine;2-[1-(3-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanamine;3-propyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 159899798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).