4-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]cyclohexane-1,4-diamine

C26H28ClFN4 — CID 86299344

IUPAC4-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cc(-c3ccc4c(c3)N(Cc3cccc(F)c3)CC4)c(Cl)cn2)CC1
InChIInChI=1S/C26H28ClFN4/c27-24-15-30-26(31-22-8-6-21(29)7-9-22)14-23(24)19-5-4-18-10-11-32(25(18)13-19)16-17-2-1-3-20(28)12-17/h1-5,12-15,21-22H,6-11,16,29H2,(H,30,31)
InChIKeyBFJUASLRCGXNIE-UHFFFAOYSA-N
MW450.99 g/mol
LogP5.79
Rot. Bonds5

About 4-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]cyclohexane-1,4-diamine

4-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]cyclohexane-1,4-diamine (PubChem CID 86299344) has the molecular formula C26H28ClFN4 and a molecular weight of 450.99 g/mol. Its IUPAC name is 4-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]cyclohexane-1,4-diamine
PubChem CID86299344
Molecular FormulaC26H28ClFN4
Molecular Weight450.99 g/mol
Exact Mass450.20
IUPAC Name4-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cc(-c3ccc4c(c3)N(Cc3cccc(F)c3)CC4)c(Cl)cn2)CC1
InChIInChI=1S/C26H28ClFN4/c27-24-15-30-26(31-22-8-6-21(29)7-9-22)14-23(24)19-5-4-18-10-11-32(25(18)13-19)16-17-2-1-3-20(28)12-17/h1-5,12-15,21-22H,6-11,16,29H2,(H,30,31)
InChIKeyBFJUASLRCGXNIE-UHFFFAOYSA-N
XLogP5.79
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.99
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]cyclohexane-1,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]cyclohexane-1,4-diamine (CID 86299344) is 4-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]cyclohexane-1,4-diamine is NC1CCC(Nc2cc(-c3ccc4c(c3)N(Cc3cccc(F)c3)CC4)c(Cl)cn2)CC1.
What is the InChIKey of 4-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]cyclohexane-1,4-diamine?
The InChIKey is BFJUASLRCGXNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClFN4/c27-24-15-30-26(31-22-8-6-21(29)7-9-22)14-23(24)19-5-4-18-10-11-32(25(18)13-19)16-17-2-1-3-20(28)12-17/h1-5,12-15,21-22H,6-11,16,29H2,(H,30,31).
What are the key properties of 4-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]cyclohexane-1,4-diamine?
4-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]cyclohexane-1,4-diamine has a molecular weight of 450.99 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 86299344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).