4-(1H-indol-5-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile

C26H25N5O2 — CID 24865619

IUPAC4-(1H-indol-5-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(OCCN3CCOCC3)c2)c1Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C26H25N5O2/c27-16-21-17-28-18-24(26(21)30-22-4-5-25-20(14-22)6-7-29-25)19-2-1-3-23(15-19)33-13-10-31-8-11-32-12-9-31/h1-7,14-15,17-18,29H,8-13H2,(H,28,30)
InChIKeyPNCPCHTVYFDRTP-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.56
Rot. Bonds7

About 4-(1H-indol-5-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile

4-(1H-indol-5-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile (PubChem CID 24865619) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-(1H-indol-5-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1H-indol-5-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile
PubChem CID24865619
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name4-(1H-indol-5-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(OCCN3CCOCC3)c2)c1Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C26H25N5O2/c27-16-21-17-28-18-24(26(21)30-22-4-5-25-20(14-22)6-7-29-25)19-2-1-3-23(15-19)33-13-10-31-8-11-32-12-9-31/h1-7,14-15,17-18,29H,8-13H2,(H,28,30)
InChIKeyPNCPCHTVYFDRTP-UHFFFAOYSA-N
XLogP4.56
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(1H-indol-5-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile 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

Donitriptan
CID 197706
5-(Benzyloxy)tryptamine
CID 89576
N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine
CID 73814
(1S)-2-(1H-Indol-3-YL)-1-[({5-[(E)-2-pyridin-4-ylvinyl]pyridin-3-YL}oxy)methyl]ethylamine
CID 6914613
2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile
CID 252139
(2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridin-3-yl)oxy-propan-2-amine
CID 6914611
5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole
CID 9800737
N-(4-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}phenyl)acetamide
CID 10126724
3-[(2R)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 10150362
3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(pyridin-4-yl)quinoline
CID 10150682
6-{5-[(2R)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 10194205
3-[(2S)-2-amino-3-({5-[2-(pyridin-4-yl)ethynyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 10237197

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-(1H-indol-5-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile (CID 24865619) is 4-(1H-indol-5-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1H-indol-5-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-(1H-indol-5-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cccc(OCCN3CCOCC3)c2)c1Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 4-(1H-indol-5-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile?
The InChIKey is PNCPCHTVYFDRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c27-16-21-17-28-18-24(26(21)30-22-4-5-25-20(14-22)6-7-29-25)19-2-1-3-23(15-19)33-13-10-31-8-11-32-12-9-31/h1-7,14-15,17-18,29H,8-13H2,(H,28,30).
What are the key properties of 4-(1H-indol-5-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile?
4-(1H-indol-5-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile has a molecular weight of 439.52 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 24865619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).