9-[2,3,5,6-tetrafluoro-4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrido[3,4-b]indole

C30H16F4N4 — CID 58750653

IUPAC9-[2,3,5,6-tetrafluoro-4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrido[3,4-b]indole
SMILESFc1c(F)c(-n2c3ccccc3c3ccncc32)c(F)c(F)c1-c1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C30H16F4N4/c31-24-23(29-28(17-8-2-1-3-9-17)36-22-12-6-7-15-37(22)29)25(32)27(34)30(26(24)33)38-20-11-5-4-10-18(20)19-13-14-35-16-21(19)38/h1-16H
InChIKeyUNBWHCNAKAPEKV-UHFFFAOYSA-N
MW508.48 g/mol
LogP7.72
Rot. Bonds3

About 9-[2,3,5,6-tetrafluoro-4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrido[3,4-b]indole

9-[2,3,5,6-tetrafluoro-4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrido[3,4-b]indole (PubChem CID 58750653) has the molecular formula C30H16F4N4 and a molecular weight of 508.48 g/mol. Its IUPAC name is 9-[2,3,5,6-tetrafluoro-4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[2,3,5,6-tetrafluoro-4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrido[3,4-b]indole
PubChem CID58750653
Molecular FormulaC30H16F4N4
Molecular Weight508.48 g/mol
Exact Mass508.13
IUPAC Name9-[2,3,5,6-tetrafluoro-4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrido[3,4-b]indole
SMILESFc1c(F)c(-n2c3ccccc3c3ccncc32)c(F)c(F)c1-c1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C30H16F4N4/c31-24-23(29-28(17-8-2-1-3-9-17)36-22-12-6-7-15-37(22)29)25(32)27(34)30(26(24)33)38-20-11-5-4-10-18(20)19-13-14-35-16-21(19)38/h1-16H
InChIKeyUNBWHCNAKAPEKV-UHFFFAOYSA-N
XLogP7.72
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.48
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 9-[2,3,5,6-tetrafluoro-4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrido[3,4-b]indole with MolForge

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Miransertib
CID 53262401
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
Fazadinium Bromide
CID 6321422
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo(1,2-a:4,5-c')dipyridin-7-amine
CID 15953860
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
FK-739
CID 23668568
6-[Difluoro-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127045762
3,7-Diphenylimidazo[1,2-a]pyridine
CID 5329339

Frequently Asked Questions

What is the IUPAC name of 9-[2,3,5,6-tetrafluoro-4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrido[3,4-b]indole?
The IUPAC name of 9-[2,3,5,6-tetrafluoro-4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrido[3,4-b]indole (CID 58750653) is 9-[2,3,5,6-tetrafluoro-4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[2,3,5,6-tetrafluoro-4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[2,3,5,6-tetrafluoro-4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrido[3,4-b]indole is Fc1c(F)c(-n2c3ccccc3c3ccncc32)c(F)c(F)c1-c1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of 9-[2,3,5,6-tetrafluoro-4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrido[3,4-b]indole?
The InChIKey is UNBWHCNAKAPEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16F4N4/c31-24-23(29-28(17-8-2-1-3-9-17)36-22-12-6-7-15-37(22)29)25(32)27(34)30(26(24)33)38-20-11-5-4-10-18(20)19-13-14-35-16-21(19)38/h1-16H.
What are the key properties of 9-[2,3,5,6-tetrafluoro-4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrido[3,4-b]indole?
9-[2,3,5,6-tetrafluoro-4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrido[3,4-b]indole has a molecular weight of 508.48 g/mol, XLogP of 7.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,3,5,6-tetrafluoro-4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrido[3,4-b]indole is sourced from PubChem (CID 58750653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).