N-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C18H19N7O2 — CID 44824998

IUPACN-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1cc(NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)c(C)n1
InChIInChI=1S/C18H19N7O2/c1-5-25-9-15(10(2)22-25)20-17(26)13-6-14(12-7-19-24(4)8-12)21-18-16(13)11(3)23-27-18/h6-9H,5H2,1-4H3,(H,20,26)
InChIKeyXRCKAIUIYZBNIL-UHFFFAOYSA-N
MW365.40 g/mol
LogP2.71
Rot. Bonds4

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

N-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824998) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44824998
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC NameN-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1cc(NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)c(C)n1
InChIInChI=1S/C18H19N7O2/c1-5-25-9-15(10(2)22-25)20-17(26)13-6-14(12-7-19-24(4)8-12)21-18-16(13)11(3)23-27-18/h6-9H,5H2,1-4H3,(H,20,26)
InChIKeyXRCKAIUIYZBNIL-UHFFFAOYSA-N
XLogP2.71
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824998) is N-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCn1cc(NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c23)c(C)n1.
What is the InChIKey of N-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XRCKAIUIYZBNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-5-25-9-15(10(2)22-25)20-17(26)13-6-14(12-7-19-24(4)8-12)21-18-16(13)11(3)23-27-18/h6-9H,5H2,1-4H3,(H,20,26).
What are the key properties of N-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).