N-cyclopentyl-2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide

C20H22N4O2S — CID 653588

IUPACN-cyclopentyl-2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1c(SCC(=O)NC2CCCC2)nc2cccnc21
InChIInChI=1S/C20H22N4O2S/c1-26-17-11-5-4-10-16(17)24-19-15(9-6-12-21-19)23-20(24)27-13-18(25)22-14-7-2-3-8-14/h4-6,9-12,14H,2-3,7-8,13H2,1H3,(H,22,25)
InChIKeyGZBJXZXBSMQAMK-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.58
Rot. Bonds6

About N-cyclopentyl-2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide

N-cyclopentyl-2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide (PubChem CID 653588) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
PubChem CID653588
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-cyclopentyl-2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1c(SCC(=O)NC2CCCC2)nc2cccnc21
InChIInChI=1S/C20H22N4O2S/c1-26-17-11-5-4-10-16(17)24-19-15(9-6-12-21-19)23-20(24)27-13-18(25)22-14-7-2-3-8-14/h4-6,9-12,14H,2-3,7-8,13H2,1H3,(H,22,25)
InChIKeyGZBJXZXBSMQAMK-UHFFFAOYSA-N
XLogP3.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide (CID 653588) is N-cyclopentyl-2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide is COc1ccccc1-n1c(SCC(=O)NC2CCCC2)nc2cccnc21.
What is the InChIKey of N-cyclopentyl-2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
The InChIKey is GZBJXZXBSMQAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-26-17-11-5-4-10-16(17)24-19-15(9-6-12-21-19)23-20(24)27-13-18(25)22-14-7-2-3-8-14/h4-6,9-12,14H,2-3,7-8,13H2,1H3,(H,22,25).
What are the key properties of N-cyclopentyl-2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
N-cyclopentyl-2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide has a molecular weight of 382.49 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-(2-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide is sourced from PubChem (CID 653588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).