N-[1-[5-methyl-1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]pyrrolidin-2-yl]propan-2-yl]acetamide

C23H28N4O2S — CID 146260745

IUPACN-[1-[5-methyl-1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]pyrrolidin-2-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)CC1CCC(C)N1Cc1ccc(Oc2nc3ncccc3s2)cc1
InChIInChI=1S/C23H28N4O2S/c1-15(25-17(3)28)13-19-9-6-16(2)27(19)14-18-7-10-20(11-8-18)29-23-26-22-21(30-23)5-4-12-24-22/h4-5,7-8,10-12,15-16,19H,6,9,13-14H2,1-3H3,(H,25,28)
InChIKeyVGDUDVXAXLJZBM-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.75
Rot. Bonds7

About N-[1-[5-methyl-1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]pyrrolidin-2-yl]propan-2-yl]acetamide

N-[1-[5-methyl-1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]pyrrolidin-2-yl]propan-2-yl]acetamide (PubChem CID 146260745) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[1-[5-methyl-1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]pyrrolidin-2-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[5-methyl-1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]pyrrolidin-2-yl]propan-2-yl]acetamide
PubChem CID146260745
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC NameN-[1-[5-methyl-1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]pyrrolidin-2-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)CC1CCC(C)N1Cc1ccc(Oc2nc3ncccc3s2)cc1
InChIInChI=1S/C23H28N4O2S/c1-15(25-17(3)28)13-19-9-6-16(2)27(19)14-18-7-10-20(11-8-18)29-23-26-22-21(30-23)5-4-12-24-22/h4-5,7-8,10-12,15-16,19H,6,9,13-14H2,1-3H3,(H,25,28)
InChIKeyVGDUDVXAXLJZBM-UHFFFAOYSA-N
XLogP4.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-methyl-1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]pyrrolidin-2-yl]propan-2-yl]acetamide?
The IUPAC name of N-[1-[5-methyl-1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]pyrrolidin-2-yl]propan-2-yl]acetamide (CID 146260745) is N-[1-[5-methyl-1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]pyrrolidin-2-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[5-methyl-1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]pyrrolidin-2-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[5-methyl-1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]pyrrolidin-2-yl]propan-2-yl]acetamide is CC(=O)NC(C)CC1CCC(C)N1Cc1ccc(Oc2nc3ncccc3s2)cc1.
What is the InChIKey of N-[1-[5-methyl-1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]pyrrolidin-2-yl]propan-2-yl]acetamide?
The InChIKey is VGDUDVXAXLJZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-15(25-17(3)28)13-19-9-6-16(2)27(19)14-18-7-10-20(11-8-18)29-23-26-22-21(30-23)5-4-12-24-22/h4-5,7-8,10-12,15-16,19H,6,9,13-14H2,1-3H3,(H,25,28).
What are the key properties of N-[1-[5-methyl-1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]pyrrolidin-2-yl]propan-2-yl]acetamide?
N-[1-[5-methyl-1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]pyrrolidin-2-yl]propan-2-yl]acetamide has a molecular weight of 424.57 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-methyl-1-[[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]methyl]pyrrolidin-2-yl]propan-2-yl]acetamide is sourced from PubChem (CID 146260745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).