N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide

C18H21N5OS — CID 126469518

IUPACN-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCC(NC(=O)CSc1ccncc1)c1nc2cccnc2n1C(C)C
InChIInChI=1S/C18H21N5OS/c1-12(2)23-17(22-15-5-4-8-20-18(15)23)13(3)21-16(24)11-25-14-6-9-19-10-7-14/h4-10,12-13H,11H2,1-3H3,(H,21,24)
InChIKeyJIMIPDXCBNFVPD-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.38
Rot. Bonds6

About N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide

N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 126469518) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID126469518
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide
SMILESCC(NC(=O)CSc1ccncc1)c1nc2cccnc2n1C(C)C
InChIInChI=1S/C18H21N5OS/c1-12(2)23-17(22-15-5-4-8-20-18(15)23)13(3)21-16(24)11-25-14-6-9-19-10-7-14/h4-10,12-13H,11H2,1-3H3,(H,21,24)
InChIKeyJIMIPDXCBNFVPD-UHFFFAOYSA-N
XLogP3.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide (CID 126469518) is N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide is CC(NC(=O)CSc1ccncc1)c1nc2cccnc2n1C(C)C.
What is the InChIKey of N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is JIMIPDXCBNFVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-12(2)23-17(22-15-5-4-8-20-18(15)23)13(3)21-16(24)11-25-14-6-9-19-10-7-14/h4-10,12-13H,11H2,1-3H3,(H,21,24).
What are the key properties of N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide?
N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 355.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 126469518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).