2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

C28H29N5O3 — CID 141308215

IUPAC2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCOc1cc(-c2nccc(Nc3ccc4[nH]ccc4c3C)c2C#N)ccc1OCCN1CCOCC1
InChIInChI=1S/C28H29N5O3/c1-19-21-7-9-30-24(21)5-4-23(19)32-25-8-10-31-28(22(25)18-29)20-3-6-26(27(17-20)34-2)36-16-13-33-11-14-35-15-12-33/h3-10,17,30H,11-16H2,1-2H3,(H,31,32)
InChIKeyPISOZTVTTDUZHU-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.87
Rot. Bonds8

About 2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (PubChem CID 141308215) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
PubChem CID141308215
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCOc1cc(-c2nccc(Nc3ccc4[nH]ccc4c3C)c2C#N)ccc1OCCN1CCOCC1
InChIInChI=1S/C28H29N5O3/c1-19-21-7-9-30-24(21)5-4-23(19)32-25-8-10-31-28(22(25)18-29)20-3-6-26(27(17-20)34-2)36-16-13-33-11-14-35-15-12-33/h3-10,17,30H,11-16H2,1-2H3,(H,31,32)
InChIKeyPISOZTVTTDUZHU-UHFFFAOYSA-N
XLogP4.87
TPSA95.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(4-methyl-1H-indol-5-yl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3,4-diamine
CID 70791212
4-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]-2-pyridinyl]but-3-enyl morpholine-4-carboxylate
CID 91523593
2-(3,4-dimethoxyphenyl)-4-(isoquinolin-5-ylamino)pyridine-3-carbonitrile
CID 141192111
4-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586713
4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-morpholin-4-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile
CID 69474227
6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 69248088
2-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]propanedinitrile
CID 4778584
3-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-indazole-5-carbonitrile
CID 22480066
3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile
CID 22685973
2-methoxy-5-[2-[[3-methoxy-5-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]benzonitrile
CID 157452609
2-(2,3-dimethoxyphenyl)-N-(4-methyl-1H-indol-5-yl)furo[3,2-b]pyridin-7-amine
CID 66779317
5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]pyridine-3-carbonitrile
CID 71498615

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (CID 141308215) is 2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is COc1cc(-c2nccc(Nc3ccc4[nH]ccc4c3C)c2C#N)ccc1OCCN1CCOCC1.
What is the InChIKey of 2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The InChIKey is PISOZTVTTDUZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-19-21-7-9-30-24(21)5-4-23(19)32-25-8-10-31-28(22(25)18-29)20-3-6-26(27(17-20)34-2)36-16-13-33-11-14-35-15-12-33/h3-10,17,30H,11-16H2,1-2H3,(H,31,32).
What are the key properties of 2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile has a molecular weight of 483.57 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 141308215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).