N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H24N4O2S — CID 119574270

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC(C)(CN)C3CC3)c3c(C)noc3n2)c(C)s1
InChIInChI=1S/C20H24N4O2S/c1-10-7-14(12(3)27-10)16-8-15(17-11(2)24-26-19(17)22-16)18(25)23-20(4,9-21)13-5-6-13/h7-8,13H,5-6,9,21H2,1-4H3,(H,23,25)
InChIKeyLUKHMVRSTXWHGJ-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.73
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119574270) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID119574270
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NC(C)(CN)C3CC3)c3c(C)noc3n2)c(C)s1
InChIInChI=1S/C20H24N4O2S/c1-10-7-14(12(3)27-10)16-8-15(17-11(2)24-26-19(17)22-16)18(25)23-20(4,9-21)13-5-6-13/h7-8,13H,5-6,9,21H2,1-4H3,(H,23,25)
InChIKeyLUKHMVRSTXWHGJ-UHFFFAOYSA-N
XLogP3.73
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119574148
N-(2-amino-1-cyclopropylethyl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119615488
N-(3-amino-2,2-dimethylpropyl)-6-(2,5-dimethylthiophen-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119654946
6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-(piperidin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119462441
N-[2-(cyclopropylmethoxy)ethyl]-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86900169
6-(2,5-dimethylthiophen-3-yl)-N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119507261
ethyl 4-[[6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]butanoate
CID 78831075
(4-aminopiperidin-1-yl)-[6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone;hydrochloride
CID 119375060
N-(1-amino-2-methylpropan-2-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119524902
(2,2-dichlorocyclopropyl)methyl 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18158226
(2S)-1-[6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365557
6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78838579

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 119574270) is N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NC(C)(CN)C3CC3)c3c(C)noc3n2)c(C)s1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LUKHMVRSTXWHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-10-7-14(12(3)27-10)16-8-15(17-11(2)24-26-19(17)22-16)18(25)23-20(4,9-21)13-5-6-13/h7-8,13H,5-6,9,21H2,1-4H3,(H,23,25).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119574270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).