N-cyclopropyl-2-[5-[2-(3-methylimidazo[4,5-c]pyridin-2-yl)sulfanylacetyl]thiophen-2-yl]propanamide

C19H20N4O2S2 — CID 178131138

IUPACN-cyclopropyl-2-[5-[2-(3-methylimidazo[4,5-c]pyridin-2-yl)sulfanylacetyl]thiophen-2-yl]propanamide
SMILESCC(C(=O)NC1CC1)c1ccc(C(=O)CSc2nc3ccncc3n2C)s1
InChIInChI=1S/C19H20N4O2S2/c1-11(18(25)21-12-3-4-12)16-5-6-17(27-16)15(24)10-26-19-22-13-7-8-20-9-14(13)23(19)2/h5-9,11-12H,3-4,10H2,1-2H3,(H,21,25)
InChIKeyNZAGSFSARIXAKD-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.39
Rot. Bonds7

About N-cyclopropyl-2-[5-[2-(3-methylimidazo[4,5-c]pyridin-2-yl)sulfanylacetyl]thiophen-2-yl]propanamide

N-cyclopropyl-2-[5-[2-(3-methylimidazo[4,5-c]pyridin-2-yl)sulfanylacetyl]thiophen-2-yl]propanamide (PubChem CID 178131138) has the molecular formula C19H20N4O2S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-cyclopropyl-2-[5-[2-(3-methylimidazo[4,5-c]pyridin-2-yl)sulfanylacetyl]thiophen-2-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[5-[2-(3-methylimidazo[4,5-c]pyridin-2-yl)sulfanylacetyl]thiophen-2-yl]propanamide
PubChem CID178131138
Molecular FormulaC19H20N4O2S2
Molecular Weight400.53 g/mol
Exact Mass400.10
IUPAC NameN-cyclopropyl-2-[5-[2-(3-methylimidazo[4,5-c]pyridin-2-yl)sulfanylacetyl]thiophen-2-yl]propanamide
SMILESCC(C(=O)NC1CC1)c1ccc(C(=O)CSc2nc3ccncc3n2C)s1
InChIInChI=1S/C19H20N4O2S2/c1-11(18(25)21-12-3-4-12)16-5-6-17(27-16)15(24)10-26-19-22-13-7-8-20-9-14(13)23(19)2/h5-9,11-12H,3-4,10H2,1-2H3,(H,21,25)
InChIKeyNZAGSFSARIXAKD-UHFFFAOYSA-N
XLogP3.39
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[5-[2-(3-methylimidazo[4,5-c]pyridin-2-yl)sulfanylacetyl]thiophen-2-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[5-[2-(3-methylimidazo[4,5-c]pyridin-2-yl)sulfanylacetyl]thiophen-2-yl]propanamide (CID 178131138) is N-cyclopropyl-2-[5-[2-(3-methylimidazo[4,5-c]pyridin-2-yl)sulfanylacetyl]thiophen-2-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[5-[2-(3-methylimidazo[4,5-c]pyridin-2-yl)sulfanylacetyl]thiophen-2-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[5-[2-(3-methylimidazo[4,5-c]pyridin-2-yl)sulfanylacetyl]thiophen-2-yl]propanamide is CC(C(=O)NC1CC1)c1ccc(C(=O)CSc2nc3ccncc3n2C)s1.
What is the InChIKey of N-cyclopropyl-2-[5-[2-(3-methylimidazo[4,5-c]pyridin-2-yl)sulfanylacetyl]thiophen-2-yl]propanamide?
The InChIKey is NZAGSFSARIXAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S2/c1-11(18(25)21-12-3-4-12)16-5-6-17(27-16)15(24)10-26-19-22-13-7-8-20-9-14(13)23(19)2/h5-9,11-12H,3-4,10H2,1-2H3,(H,21,25).
What are the key properties of N-cyclopropyl-2-[5-[2-(3-methylimidazo[4,5-c]pyridin-2-yl)sulfanylacetyl]thiophen-2-yl]propanamide?
N-cyclopropyl-2-[5-[2-(3-methylimidazo[4,5-c]pyridin-2-yl)sulfanylacetyl]thiophen-2-yl]propanamide has a molecular weight of 400.53 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[5-[2-(3-methylimidazo[4,5-c]pyridin-2-yl)sulfanylacetyl]thiophen-2-yl]propanamide is sourced from PubChem (CID 178131138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).