tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-ol — IUPAC name, SMILES, InChIKey & properties

Name: tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-ol

tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-ol (PubChem CID 161112394) has the molecular formula C78H84Cl4N14O4 and a molecular weight of 1423.44 g/mol. Its IUPAC name is tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name	tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-ol
PubChem CID	161112394
Molecular Formula	C78H84Cl4N14O4
Molecular Weight	1423.44 g/mol
Exact Mass	1420.56
IUPAC Name	tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-ol
SMILES	CC(C)(C)OC(=O)N1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.Clc1ccc(-n2cc(CN3CCNCC3)c3ccncc32)cc1.Clc1ccc(-n2cc(CN3CCOCC3)c3ccncc32)cc1.OC1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChI	InChI=1S/C23H27ClN4O2.C19H20ClN3O.C18H19ClN4.C18H18ClN3O/c1-23(2,3)30-22(29)27-12-10-26(11-13-27)15-17-16-28(19-6-4-18(24)5-7-19)21-14-25-9-8-20(17)21;20-15-1-3-16(4-2-15)23-13-14(18-5-8-21-11-19(18)23)12-22-9-6-17(24)7-10-22;19-15-1-3-16(4-2-15)23-13-14(12-22-9-7-20-8-10-22)17-5-6-21-11-18(17)23;19-15-1-3-16(4-2-15)22-13-14(12-21-7-9-23-10-8-21)17-5-6-20-11-18(17)22/h4-9,14,16H,10-13,15H2,1-3H3;1-5,8,11,13,17,24H,6-7,9-10,12H2;1-6,11,13,20H,7-10,12H2;1-6,11,13H,7-10,12H2
InChIKey	UJWFBPRREOUBCL-UHFFFAOYSA-N
XLogP	14.96
TPSA	155.27 Å²
H-Bond Donors	2
H-Bond Acceptors	17
Rotatable Bonds	12
Heavy Atoms	100
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1423.44
LogP ≤ 5	14.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Analyze tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-ol?

The IUPAC name of tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-ol (CID 161112394) is tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-ol.

What is the SMILES notation for tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-ol?

The canonical SMILES for tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-ol is CC(C)(C)OC(=O)N1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.Clc1ccc(-n2cc(CN3CCNCC3)c3ccncc32)cc1.Clc1ccc(-n2cc(CN3CCOCC3)c3ccncc32)cc1.OC1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.

What is the InChIKey of tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-ol?

The InChIKey is UJWFBPRREOUBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2.C19H20ClN3O.C18H19ClN4.C18H18ClN3O/c1-23(2,3)30-22(29)27-12-10-26(11-13-27)15-17-16-28(19-6-4-18(24)5-7-19)21-14-25-9-8-20(17)21;20-15-1-3-16(4-2-15)23-13-14(18-5-8-21-11-19(18)23)12-22-9-6-17(24)7-10-22;19-15-1-3-16(4-2-15)23-13-14(12-22-9-7-20-8-10-22)17-5-6-21-11-18(17)23;19-15-1-3-16(4-2-15)22-13-14(12-21-7-9-23-10-8-21)17-5-6-20-11-18(17)22/h4-9,14,16H,10-13,15H2,1-3H3;1-5,8,11,13,17,24H,6-7,9-10,12H2;1-6,11,13,20H,7-10,12H2;1-6,11,13H,7-10,12H2.

What are the key properties of tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-ol?

Where does this data come from?

All data for tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 161112394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).