[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane

C26H34ClN5O — CID 145325570

IUPAC[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane
SMILESCCC.O=C(N1CCNCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C23H26ClN5O.C3H8/c24-18-1-3-19(4-2-18)29-16-21(20-5-8-26-15-22(20)29)17-6-11-27(12-7-17)23(30)28-13-9-25-10-14-28;1-3-2/h1-5,8,15-17,25H,6-7,9-14H2;3H2,1-2H3
InChIKeyDIEPPVXAZIAWES-UHFFFAOYSA-N
MW468.05 g/mol
LogP5.30
Rot. Bonds2

About [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane

[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane (PubChem CID 145325570) has the molecular formula C26H34ClN5O and a molecular weight of 468.05 g/mol. Its IUPAC name is [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane.

Molecular Properties

Compound Name[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane
PubChem CID145325570
Molecular FormulaC26H34ClN5O
Molecular Weight468.05 g/mol
Exact Mass467.25
IUPAC Name[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane
SMILESCCC.O=C(N1CCNCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C23H26ClN5O.C3H8/c24-18-1-3-19(4-2-18)29-16-21(20-5-8-26-15-22(20)29)17-6-11-27(12-7-17)23(30)28-13-9-25-10-14-28;1-3-2/h1-5,8,15-17,25H,6-7,9-14H2;3H2,1-2H3
InChIKeyDIEPPVXAZIAWES-UHFFFAOYSA-N
XLogP5.30
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.05
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sertindole
CID 60149
1-(3-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-propyl)-imidazolidin-2-one
CID 15006460
2-Imidazolidinone,1-[2-[4-[5-chloro-3-(4-fluorophenyl)-1h-indol-1-yl]-1-piperidinyl]ethyl]-
CID 10003405
1-(2-{4-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-1,3-dimethyl-urea
CID 10026395
1-(2-{4-[1-(4-Chloro-phenyl)-6-methyl-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-3-isopropyl-imidazolidin-2-one
CID 10073825
3-(2-{4-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-1,1-dimethyl-urea
CID 10321160
1-(2-{4-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-3-isopropyl-1-methyl-urea
CID 10322519
1-[2-({3-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-propyl}-methyl-amino)-ethyl]-imidazolidin-2-one
CID 10812487
1-[2-({2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-ethyl}-methyl-amino)-ethyl]-imidazolidin-2-one
CID 11796106
1-(2-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperazin-1-yl}-ethyl)-imidazolidin-2-one
CID 15006416
1-[2-[4-[5-Chloro-1-(4-fluorophenyl)-1H-indol-3-yl]-3,6-dihydro-1(2H)-pyridinyl]ethyl]-2-imidazolidinone
CID 15006442
1-(4-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-butyl)-imidazolidin-2-one
CID 15006461

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane?
The IUPAC name of [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane (CID 145325570) is [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane.
What is the SMILES notation for [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane?
The canonical SMILES for [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane is CCC.O=C(N1CCNCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.
What is the InChIKey of [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane?
The InChIKey is DIEPPVXAZIAWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O.C3H8/c24-18-1-3-19(4-2-18)29-16-21(20-5-8-26-15-22(20)29)17-6-11-27(12-7-17)23(30)28-13-9-25-10-14-28;1-3-2/h1-5,8,15-17,25H,6-7,9-14H2;3H2,1-2H3.
What are the key properties of [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane?
[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane has a molecular weight of 468.05 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane is sourced from PubChem (CID 145325570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).