5-[5-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

C26H23N5O2 — CID 45485733

IUPAC5-[5-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCc1c(Nc2c(C#N)cncc2-c2cc3cc(CNCCO)ccc3o2)ccc2[nH]ccc12
InChIInChI=1S/C26H23N5O2/c1-16-20-6-7-30-23(20)4-3-22(16)31-26-19(12-27)14-29-15-21(26)25-11-18-10-17(13-28-8-9-32)2-5-24(18)33-25/h2-7,10-11,14-15,28,30,32H,8-9,13H2,1H3,(H,29,31)
InChIKeyHOTMBRBDTHIOMH-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.98
Rot. Bonds7

About 5-[5-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

5-[5-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (PubChem CID 45485733) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 5-[5-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[5-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
PubChem CID45485733
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name5-[5-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCc1c(Nc2c(C#N)cncc2-c2cc3cc(CNCCO)ccc3o2)ccc2[nH]ccc12
InChIInChI=1S/C26H23N5O2/c1-16-20-6-7-30-23(20)4-3-22(16)31-26-19(12-27)14-29-15-21(26)25-11-18-10-17(13-28-8-9-32)2-5-24(18)33-25/h2-7,10-11,14-15,28,30,32H,8-9,13H2,1H3,(H,29,31)
InChIKeyHOTMBRBDTHIOMH-UHFFFAOYSA-N
XLogP4.98
TPSA109.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpiperazin-1-yl)methyl)benzofuran-2-yl)nicotinonitrile
CID 23627212
5-(5-((4-ethylpiperazin-1-yl)methyl)benzofuran-2-yl)-4-(4-methyl-1H-indol-5-ylamino)nicotinonitrile
CID 45485748
3-{4-[4-(2-Cyano-benzofuran-5-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
CID 11441638
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
CID 11257134
3-[4-(4-Benzofuran-5-yl-piperazin-1-yl)-butyl]-1H-indole-5-carbonitrile
CID 11420033
3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
CID 11485956
4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)nicotinonitrile
CID 44511325
4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperazin-1-ylmethyl)benzofuran-2-yl)nicotinonitrile
CID 44626360
5-(benzofuran-2-yl)-4-(4-methyl-1H-indol-5-ylamino)nicotinonitrile
CID 45485596
5-(5-((cyclohexylamino)methyl)benzofuran-2-yl)-4-(4-methyl-1H-indol-5-ylamino)nicotinonitrile
CID 45485719
4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperidin-1-ylmethyl)benzofuran-2-yl)nicotinonitrile
CID 45485731
5-(5-((dimethylamino)methyl)benzofuran-2-yl)-4-(4-methyl-1H-indol-5-ylamino)nicotinonitrile
CID 45485732

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-[5-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (CID 45485733) is 5-[5-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[5-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-[5-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is Cc1c(Nc2c(C#N)cncc2-c2cc3cc(CNCCO)ccc3o2)ccc2[nH]ccc12.
What is the InChIKey of 5-[5-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The InChIKey is HOTMBRBDTHIOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-16-20-6-7-30-23(20)4-3-22(16)31-26-19(12-27)14-29-15-21(26)25-11-18-10-17(13-28-8-9-32)2-5-24(18)33-25/h2-7,10-11,14-15,28,30,32H,8-9,13H2,1H3,(H,29,31).
What are the key properties of 5-[5-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
5-[5-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile has a molecular weight of 437.50 g/mol, XLogP of 4.98, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 45485733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).