2-[1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethylamino]ethanol

C25H29N5O — CID 59555727

IUPAC2-[1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethylamino]ethanol
SMILESCC(NCCO)c1cc(Nc2ccc(NCCc3c[nH]c4ccccc34)cc2)ccn1
InChIInChI=1S/C25H29N5O/c1-18(26-14-15-31)25-16-22(11-13-28-25)30-21-8-6-20(7-9-21)27-12-10-19-17-29-24-5-3-2-4-23(19)24/h2-9,11,13,16-18,26-27,29,31H,10,12,14-15H2,1H3,(H,28,30)
InChIKeyBFBJRMAZYGIRPA-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.60
Rot. Bonds10

About 2-[1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethylamino]ethanol

2-[1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethylamino]ethanol (PubChem CID 59555727) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-[1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethylamino]ethanol.

Molecular Properties

Compound Name2-[1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethylamino]ethanol
PubChem CID59555727
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name2-[1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethylamino]ethanol
SMILESCC(NCCO)c1cc(Nc2ccc(NCCc3c[nH]c4ccccc34)cc2)ccn1
InChIInChI=1S/C25H29N5O/c1-18(26-14-15-31)25-16-22(11-13-28-25)30-21-8-6-20(7-9-21)27-12-10-19-17-29-24-5-3-2-4-23(19)24/h2-9,11,13,16-18,26-27,29,31H,10,12,14-15H2,1H3,(H,28,30)
InChIKeyBFBJRMAZYGIRPA-UHFFFAOYSA-N
XLogP4.60
TPSA85.00 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

Analyze 2-[1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethylamino]ethanol 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

1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethanol
CID 59555722
2-[1-(ethylamino)ethyl]-N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridin-4-amine
CID 58170692
methyl 4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]pyridine-2-carboxylate
CID 59555814
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]-2-[1-(2-morpholin-4-ylethylamino)ethyl]pyridin-4-amine
CID 58170627
4-[[(2R)-2-hydroxypropyl]amino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 95556692
N,N-diethyl-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109215333
4-(tert-butylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109215296
[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2,3-dihydropyridin-2-yl]methanol
CID 143202751
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine
CID 59555658
4-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109215313
N-(3,5-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109215354
methyl 4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-6-(1-methoxyethenyl)pyridine-2-carboxylate
CID 143202815

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethylamino]ethanol?
The IUPAC name of 2-[1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethylamino]ethanol (CID 59555727) is 2-[1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethylamino]ethanol.
What is the SMILES notation for 2-[1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethylamino]ethanol?
The canonical SMILES for 2-[1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethylamino]ethanol is CC(NCCO)c1cc(Nc2ccc(NCCc3c[nH]c4ccccc34)cc2)ccn1.
What is the InChIKey of 2-[1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethylamino]ethanol?
The InChIKey is BFBJRMAZYGIRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-18(26-14-15-31)25-16-22(11-13-28-25)30-21-8-6-20(7-9-21)27-12-10-19-17-29-24-5-3-2-4-23(19)24/h2-9,11,13,16-18,26-27,29,31H,10,12,14-15H2,1H3,(H,28,30).
What are the key properties of 2-[1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethylamino]ethanol?
2-[1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethylamino]ethanol has a molecular weight of 415.54 g/mol, XLogP of 4.60, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[4-[2-(1H-indol-3-yl)ethylamino]anilino]-2-pyridinyl]ethylamino]ethanol is sourced from PubChem (CID 59555727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).