5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile

C25H22N4O2 — CID 118551863

IUPAC5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2cccc3[nH]c(-c4ccc(N)nc4)cc23)ccc1OC1CCOCC1
InChIInChI=1S/C25H22N4O2/c26-14-18-12-16(4-6-24(18)31-19-8-10-30-11-9-19)20-2-1-3-22-21(20)13-23(29-22)17-5-7-25(27)28-15-17/h1-7,12-13,15,19,29H,8-11H2,(H2,27,28)
InChIKeyIDPIHUJHTNQPKC-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.91
Rot. Bonds4

About 5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile

5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile (PubChem CID 118551863) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile.

Molecular Properties

Compound Name5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile
PubChem CID118551863
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2cccc3[nH]c(-c4ccc(N)nc4)cc23)ccc1OC1CCOCC1
InChIInChI=1S/C25H22N4O2/c26-14-18-12-16(4-6-24(18)31-19-8-10-30-11-9-19)20-2-1-3-22-21(20)13-23(29-22)17-5-7-25(27)28-15-17/h1-7,12-13,15,19,29H,8-11H2,(H2,27,28)
InChIKeyIDPIHUJHTNQPKC-UHFFFAOYSA-N
XLogP4.91
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-Pyridinediamine, N3-[[5-(1H-indol-6-yl)-2-(phenylmethoxy)phenyl]methyl]-
CID 11517373
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}isoquinolin-1-amine
CID 23647580
N~3~-[5-(1H-Indol-6-YL)-2-(pyridin-2-ylmethoxy)benzyl]pyridine-2,3-diamine
CID 11633167
3-[4-(4-Chroman-6-yl-piperazin-1-yl)-butyl]-1H-indole-5-carbonitrile
CID 11774334
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}isoquinolin-3-amine
CID 15604547
7-{3-(Aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine
CID 146025977
2-amino-6-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 53329635
2-[2,3'']Bipyridinyl-6''-yl-1-(2,3-dihydro-benzofuran-5-yl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 10203901
1-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(4-methoxy-phenyl)-pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 10885231
4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)nicotinonitrile
CID 24825721
4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)nicotinonitrile
CID 44511325
5-(4-(2-(4-(2-hydroxyethyl)piperazin-1-yl)ethoxy)phenyl)-4-(4-methyl-1H-indol-5-ylamino)nicotinonitrile
CID 44573874

Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile?
The IUPAC name of 5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile (CID 118551863) is 5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile.
What is the SMILES notation for 5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile?
The canonical SMILES for 5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile is N#Cc1cc(-c2cccc3[nH]c(-c4ccc(N)nc4)cc23)ccc1OC1CCOCC1.
What is the InChIKey of 5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile?
The InChIKey is IDPIHUJHTNQPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c26-14-18-12-16(4-6-24(18)31-19-8-10-30-11-9-19)20-2-1-3-22-21(20)13-23(29-22)17-5-7-25(27)28-15-17/h1-7,12-13,15,19,29H,8-11H2,(H2,27,28).
What are the key properties of 5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile?
5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile has a molecular weight of 410.48 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile is sourced from PubChem (CID 118551863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).