4-chloro-9-phenyl-6-(4-piperazin-1-ylphenyl)pyrido[2,3-b]indole

C27H23ClN4 — CID 118012227

IUPAC4-chloro-9-phenyl-6-(4-piperazin-1-ylphenyl)pyrido[2,3-b]indole
SMILESClc1ccnc2c1c1cc(-c3ccc(N4CCNCC4)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C27H23ClN4/c28-24-12-13-30-27-26(24)23-18-20(8-11-25(23)32(27)22-4-2-1-3-5-22)19-6-9-21(10-7-19)31-16-14-29-15-17-31/h1-13,18,29H,14-17H2
InChIKeyIRHRZQUPEQCNCK-UHFFFAOYSA-N
MW438.96 g/mol
LogP5.91
Rot. Bonds3

About 4-chloro-9-phenyl-6-(4-piperazin-1-ylphenyl)pyrido[2,3-b]indole

4-chloro-9-phenyl-6-(4-piperazin-1-ylphenyl)pyrido[2,3-b]indole (PubChem CID 118012227) has the molecular formula C27H23ClN4 and a molecular weight of 438.96 g/mol. Its IUPAC name is 4-chloro-9-phenyl-6-(4-piperazin-1-ylphenyl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name4-chloro-9-phenyl-6-(4-piperazin-1-ylphenyl)pyrido[2,3-b]indole
PubChem CID118012227
Molecular FormulaC27H23ClN4
Molecular Weight438.96 g/mol
Exact Mass438.16
IUPAC Name4-chloro-9-phenyl-6-(4-piperazin-1-ylphenyl)pyrido[2,3-b]indole
SMILESClc1ccnc2c1c1cc(-c3ccc(N4CCNCC4)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C27H23ClN4/c28-24-12-13-30-27-26(24)23-18-20(8-11-25(23)32(27)22-4-2-1-3-5-22)19-6-9-21(10-7-19)31-16-14-29-15-17-31/h1-13,18,29H,14-17H2
InChIKeyIRHRZQUPEQCNCK-UHFFFAOYSA-N
XLogP5.91
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.96
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-chloro-1-methyl-2-(4-piperazin-1-ylphenyl)pyrrolo[2,3-b]pyridin-3-yl]benzonitrile
CID 67257542
4-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 147694887
3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole
CID 130326868
N-[3-[4-chloro-1-methyl-2-(4-piperazin-1-ylphenyl)pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetamide
CID 53251592
3-[4-chloro-1-methyl-2-(4-piperazin-1-ylphenyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylbenzamide
CID 53250166
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 139481059
1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine
CID 171059987
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 159710225

Frequently Asked Questions

What is the IUPAC name of 4-chloro-9-phenyl-6-(4-piperazin-1-ylphenyl)pyrido[2,3-b]indole?
The IUPAC name of 4-chloro-9-phenyl-6-(4-piperazin-1-ylphenyl)pyrido[2,3-b]indole (CID 118012227) is 4-chloro-9-phenyl-6-(4-piperazin-1-ylphenyl)pyrido[2,3-b]indole.
What is the SMILES notation for 4-chloro-9-phenyl-6-(4-piperazin-1-ylphenyl)pyrido[2,3-b]indole?
The canonical SMILES for 4-chloro-9-phenyl-6-(4-piperazin-1-ylphenyl)pyrido[2,3-b]indole is Clc1ccnc2c1c1cc(-c3ccc(N4CCNCC4)cc3)ccc1n2-c1ccccc1.
What is the InChIKey of 4-chloro-9-phenyl-6-(4-piperazin-1-ylphenyl)pyrido[2,3-b]indole?
The InChIKey is IRHRZQUPEQCNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN4/c28-24-12-13-30-27-26(24)23-18-20(8-11-25(23)32(27)22-4-2-1-3-5-22)19-6-9-21(10-7-19)31-16-14-29-15-17-31/h1-13,18,29H,14-17H2.
What are the key properties of 4-chloro-9-phenyl-6-(4-piperazin-1-ylphenyl)pyrido[2,3-b]indole?
4-chloro-9-phenyl-6-(4-piperazin-1-ylphenyl)pyrido[2,3-b]indole has a molecular weight of 438.96 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-9-phenyl-6-(4-piperazin-1-ylphenyl)pyrido[2,3-b]indole is sourced from PubChem (CID 118012227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).