3-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine

C23H26N4S — CID 162666836

IUPAC3-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine
SMILESCCCCCn1c(-c2ccccc2)nc2c(NCCc3cccs3)ccnc21
InChIInChI=1S/C23H26N4S/c1-2-3-7-16-27-22(18-9-5-4-6-10-18)26-21-20(13-15-25-23(21)27)24-14-12-19-11-8-17-28-19/h4-6,8-11,13,15,17H,2-3,7,12,14,16H2,1H3,(H,24,25)
InChIKeyFABHIYDRGFKTFF-UHFFFAOYSA-N
MW390.56 g/mol
LogP6.00
Rot. Bonds9

About 3-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine

3-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine (PubChem CID 162666836) has the molecular formula C23H26N4S and a molecular weight of 390.56 g/mol. Its IUPAC name is 3-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name3-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine
PubChem CID162666836
Molecular FormulaC23H26N4S
Molecular Weight390.56 g/mol
Exact Mass390.19
IUPAC Name3-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine
SMILESCCCCCn1c(-c2ccccc2)nc2c(NCCc3cccs3)ccnc21
InChIInChI=1S/C23H26N4S/c1-2-3-7-16-27-22(18-9-5-4-6-10-18)26-21-20(13-15-25-23(21)27)24-14-12-19-11-8-17-28-19/h4-6,8-11,13,15,17H,2-3,7,12,14,16H2,1H3,(H,24,25)
InChIKeyFABHIYDRGFKTFF-UHFFFAOYSA-N
XLogP6.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 2021006
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CID 7080336
CID 5329344
CID 5329344
CID 5329345
CID 5329345
CID 6538803
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CID 9817165
CID 9817165
CID 10215156
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CID 11173949
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CID 11850634
CID 11850634

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 3-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine (CID 162666836) is 3-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 3-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 3-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine is CCCCCn1c(-c2ccccc2)nc2c(NCCc3cccs3)ccnc21.
What is the InChIKey of 3-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine?
The InChIKey is FABHIYDRGFKTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4S/c1-2-3-7-16-27-22(18-9-5-4-6-10-18)26-21-20(13-15-25-23(21)27)24-14-12-19-11-8-17-28-19/h4-6,8-11,13,15,17H,2-3,7,12,14,16H2,1H3,(H,24,25).
What are the key properties of 3-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine?
3-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine has a molecular weight of 390.56 g/mol, XLogP of 6.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-2-phenyl-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 162666836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).