4-[6-(4-fluorophenyl)-3-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole

C33H28FN5 — CID 90013887

IUPAC4-[6-(4-fluorophenyl)-3-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
SMILESCN1CCN(c2ccc(-c3ccc4[nH]c5nccc(-c6ccc(-c7ccc(F)cc7)nc6)c5c4c3)cc2)CC1
InChIInChI=1S/C33H28FN5/c1-38-16-18-39(19-17-38)27-10-4-22(5-11-27)24-6-13-31-29(20-24)32-28(14-15-35-33(32)37-31)25-7-12-30(36-21-25)23-2-8-26(34)9-3-23/h2-15,20-21H,16-19H2,1H3,(H,35,37)
InChIKeyMOVOSFIEKBZYDH-UHFFFAOYSA-N
MW513.62 g/mol
LogP7.00
Rot. Bonds4

About 4-[6-(4-fluorophenyl)-3-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole

4-[6-(4-fluorophenyl)-3-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole (PubChem CID 90013887) has the molecular formula C33H28FN5 and a molecular weight of 513.62 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)-3-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)-3-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
PubChem CID90013887
Molecular FormulaC33H28FN5
Molecular Weight513.62 g/mol
Exact Mass513.23
IUPAC Name4-[6-(4-fluorophenyl)-3-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
SMILESCN1CCN(c2ccc(-c3ccc4[nH]c5nccc(-c6ccc(-c7ccc(F)cc7)nc6)c5c4c3)cc2)CC1
InChIInChI=1S/C33H28FN5/c1-38-16-18-39(19-17-38)27-10-4-22(5-11-27)24-6-13-31-29(20-24)32-28(14-15-35-33(32)37-31)25-7-12-30(36-21-25)23-2-8-26(34)9-3-23/h2-15,20-21H,16-19H2,1H3,(H,35,37)
InChIKeyMOVOSFIEKBZYDH-UHFFFAOYSA-N
XLogP7.00
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.62
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[6-(4-fluorophenyl)-3-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole with MolForge

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Related Compounds

2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
Miransertib
CID 53262401
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
Urmc-099
CID 54764565
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
3-(4-(Piperidin-1-ylmethyl)phenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
CID 44545757
N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 126537450
N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 133082038
2-Methyl-3-{[4-(Pyridin-2-Yl)piperazin-1-Yl]methyl}-1h-Indole
CID 2813100
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
9H-Pyrido(2,3-b)indole
CID 67486
7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 3257208

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)-3-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole?
The IUPAC name of 4-[6-(4-fluorophenyl)-3-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole (CID 90013887) is 4-[6-(4-fluorophenyl)-3-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 4-[6-(4-fluorophenyl)-3-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole?
The canonical SMILES for 4-[6-(4-fluorophenyl)-3-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole is CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(-c6ccc(-c7ccc(F)cc7)nc6)c5c4c3)cc2)CC1.
What is the InChIKey of 4-[6-(4-fluorophenyl)-3-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole?
The InChIKey is MOVOSFIEKBZYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28FN5/c1-38-16-18-39(19-17-38)27-10-4-22(5-11-27)24-6-13-31-29(20-24)32-28(14-15-35-33(32)37-31)25-7-12-30(36-21-25)23-2-8-26(34)9-3-23/h2-15,20-21H,16-19H2,1H3,(H,35,37).
What are the key properties of 4-[6-(4-fluorophenyl)-3-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole?
4-[6-(4-fluorophenyl)-3-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole has a molecular weight of 513.62 g/mol, XLogP of 7.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)-3-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 90013887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).