N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(1R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide

C20H26N4O2 — CID 118697388

IUPACN-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(1R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
SMILESCc1ccc2nc(NC(=O)CC3CC4(C)CCO[C@H]34)n(C3CCC3)c2n1
InChIInChI=1S/C20H26N4O2/c1-12-6-7-15-18(21-12)24(14-4-3-5-14)19(22-15)23-16(25)10-13-11-20(2)8-9-26-17(13)20/h6-7,13-14,17H,3-5,8-11H2,1-2H3,(H,22,23,25)/t13?,17-,20?/m1/s1
InChIKeyARYVSXDJEQQCGV-DJMMNXNOSA-N
MW354.45 g/mol
LogP3.61
Rot. Bonds4

About N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(1R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide

N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(1R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide (PubChem CID 118697388) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(1R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(1R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
PubChem CID118697388
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(1R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
SMILESCc1ccc2nc(NC(=O)CC3CC4(C)CCO[C@H]34)n(C3CCC3)c2n1
InChIInChI=1S/C20H26N4O2/c1-12-6-7-15-18(21-12)24(14-4-3-5-14)19(22-15)23-16(25)10-13-11-20(2)8-9-26-17(13)20/h6-7,13-14,17H,3-5,8-11H2,1-2H3,(H,22,23,25)/t13?,17-,20?/m1/s1
InChIKeyARYVSXDJEQQCGV-DJMMNXNOSA-N
XLogP3.61
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(1R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
The IUPAC name of N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(1R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide (CID 118697388) is N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(1R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide.
What is the SMILES notation for N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(1R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
The canonical SMILES for N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(1R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide is Cc1ccc2nc(NC(=O)CC3CC4(C)CCO[C@H]34)n(C3CCC3)c2n1.
What is the InChIKey of N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(1R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
The InChIKey is ARYVSXDJEQQCGV-DJMMNXNOSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-12-6-7-15-18(21-12)24(14-4-3-5-14)19(22-15)23-16(25)10-13-11-20(2)8-9-26-17(13)20/h6-7,13-14,17H,3-5,8-11H2,1-2H3,(H,22,23,25)/t13?,17-,20?/m1/s1.
What are the key properties of N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(1R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(1R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-[(1R)-5-methyl-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide is sourced from PubChem (CID 118697388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).