1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;hydrochloride

C86H90Cl5N17O — CID 157109925

About 1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;hydrochloride

1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;hydrochloride (PubChem CID 157109925) has the molecular formula C86H90Cl5N17O and a molecular weight of 1555.05 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;hydrochloride.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;hydrochloride
• PubChem CID: 157109925
• Molecular Formula: C86H90Cl5N17O
• Molecular Weight: 1555.05 g/mol
• Exact Mass: 1551.60
• IUPAC Name: 1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;hydrochloride
• SMILES: Cl.Clc1ccc(-n2cc(C3CCN(Cc4ccn[nH]4)CC3)c3ccncc32)cc1.Cn1cc(CN2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)cn1.N#CCCN1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.OCCN1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
• InChI: InChI=1S/C23H24ClN5.C22H22ClN5.C21H21ClN4.C20H22ClN3O.ClH/c1-27-14-17(12-26-27)15-28-10-7-18(8-11-28)22-16-29(20-4-2-19(24)3-5-20)23-13-25-9-6-21(22)23;23-17-1-3-19(4-2-17)28-15-21(20-6-9-24-13-22(20)28)16-7-11-27(12-8-16)14-18-5-10-25-26-18;22-17-2-4-18(5-3-17)26-15-20(19-6-10-24-14-21(19)26)16-7-12-25(13-8-16)11-1-9-23;21-16-1-3-17(4-2-16)24-14-19(18-5-8-22-13-20(18)24)15-6-9-23(10-7-15)11-12-25;/h2-6,9,12-14,16,18H,7-8,10-11,15H2,1H3;1-6,9-10,13,15-16H,7-8,11-12,14H2,(H,25,26);2-6,10,14-16H,1,7-8,11-13H2;1-5,8,13-15,25H,6-7,9-12H2;1H
• InChIKey: LMSZKKBDVRAQAN-UHFFFAOYSA-N
• XLogP: 18.62
• TPSA: 174.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1555.05
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;hydrochloride?

The IUPAC name of 1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;hydrochloride (CID 157109925) is 1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;hydrochloride.

What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;hydrochloride?

The canonical SMILES for 1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;hydrochloride is Cl.Clc1ccc(-n2cc(C3CCN(Cc4ccn[nH]4)CC3)c3ccncc32)cc1.Cn1cc(CN2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)cn1.N#CCCN1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.OCCN1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.

What is the InChIKey of 1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;hydrochloride?

The InChIKey is LMSZKKBDVRAQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5.C22H22ClN5.C21H21ClN4.C20H22ClN3O.ClH/c1-27-14-17(12-26-27)15-28-10-7-18(8-11-28)22-16-29(20-4-2-19(24)3-5-20)23-13-25-9-6-21(22)23;23-17-1-3-19(4-2-17)28-15-21(20-6-9-24-13-22(20)28)16-7-11-27(12-8-16)14-18-5-10-25-26-18;22-17-2-4-18(5-3-17)26-15-20(19-6-10-24-14-21(19)26)16-7-12-25(13-8-16)11-1-9-23;21-16-1-3-17(4-2-16)24-14-19(18-5-8-22-13-20(18)24)15-6-9-23(10-7-15)11-12-25;/h2-6,9,12-14,16,18H,7-8,10-11,15H2,1H3;1-6,9-10,13,15-16H,7-8,11-12,14H2,(H,25,26);2-6,10,14-16H,1,7-8,11-13H2;1-5,8,13-15,25H,6-7,9-12H2;1H.

What are the key properties of 1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;hydrochloride?

1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;hydrochloride has a molecular weight of 1555.05 g/mol, XLogP of 18.62, 16 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;3-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]propanenitrile;hydrochloride is sourced from PubChem (CID 157109925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).