5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole

C36H22FN5 — CID 59480515

IUPAC5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole
SMILESFc1cc(-c2cccc(-c3cccc4ccccc34)n2)nc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)c1
InChIInChI=1S/C36H22FN5/c37-24-21-31(29-15-6-14-28(39-29)26-13-5-10-23-9-1-2-11-25(23)26)40-32(22-24)30-16-7-19-35(41-30)42-33-17-4-3-12-27(33)36-34(42)18-8-20-38-36/h1-22H
InChIKeyHEMFERJTKFKSQP-UHFFFAOYSA-N
MW543.61 g/mol
LogP8.66
Rot. Bonds4

About 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole

5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole (PubChem CID 59480515) has the molecular formula C36H22FN5 and a molecular weight of 543.61 g/mol. Its IUPAC name is 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole
PubChem CID59480515
Molecular FormulaC36H22FN5
Molecular Weight543.61 g/mol
Exact Mass543.19
IUPAC Name5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole
SMILESFc1cc(-c2cccc(-c3cccc4ccccc34)n2)nc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)c1
InChIInChI=1S/C36H22FN5/c37-24-21-31(29-15-6-14-28(39-29)26-13-5-10-23-9-1-2-11-25(23)26)40-32(22-24)30-16-7-19-35(41-30)42-33-17-4-3-12-27(33)36-34(42)18-8-20-38-36/h1-22H
InChIKeyHEMFERJTKFKSQP-UHFFFAOYSA-N
XLogP8.66
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.61
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Florquinitau
CID 118577045
Panulisib
CID 56947515
US11420970, Example 198
CID 156073186
4-(2-(4-Fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 9844057
{4-[(S)-2-(4-Fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-(1-phenyl-ethyl)-amine
CID 9957918
4-(7-(1-Ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 10070518
7-(Naphthalen-1-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 21783605
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methylbenzyl)amine
CID 24744108
4-(3,4-Dihydro-1H-isoquinolin-2-yl)-8-fluoro-5H-pyrimido[5,4-b]indole
CID 920148
4-[7-(1-Benzylpiperidin-4-yl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24884689
4-[2-(4-Fluorophenyl)-7-(1-isobutylpiperidin-4-yl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24887642
4-{2-(4-Fluorophenyl)-7-[1-(2-methylbutyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-ylamine
CID 24887643

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?
The IUPAC name of 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole (CID 59480515) is 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole is Fc1cc(-c2cccc(-c3cccc4ccccc34)n2)nc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)c1.
What is the InChIKey of 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?
The InChIKey is HEMFERJTKFKSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22FN5/c37-24-21-31(29-15-6-14-28(39-29)26-13-5-10-23-9-1-2-11-25(23)26)40-32(22-24)30-16-7-19-35(41-30)42-33-17-4-3-12-27(33)36-34(42)18-8-20-38-36/h1-22H.
What are the key properties of 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?
5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole has a molecular weight of 543.61 g/mol, XLogP of 8.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-fluoro-6-(6-naphthalen-1-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole is sourced from PubChem (CID 59480515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).