6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H26N6O2 — CID 98220618

IUPAC6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ccc(-c2cc(C(=O)NC3C[C@@H]4CC[C@@H](C3)N4C)c3c(C)noc3n2)n1
InChIInChI=1S/C21H26N6O2/c1-4-27-8-7-17(24-27)18-11-16(19-12(2)25-29-21(19)23-18)20(28)22-13-9-14-5-6-15(10-13)26(14)3/h7-8,11,13-15H,4-6,9-10H2,1-3H3,(H,22,28)/t14-,15-/m0/s1
InChIKeyIIVHNQWIFZDTIP-GJZGRUSLSA-N
MW394.48 g/mol
LogP2.77
Rot. Bonds4

About 6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 98220618) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID98220618
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ccc(-c2cc(C(=O)NC3C[C@@H]4CC[C@@H](C3)N4C)c3c(C)noc3n2)n1
InChIInChI=1S/C21H26N6O2/c1-4-27-8-7-17(24-27)18-11-16(19-12(2)25-29-21(19)23-18)20(28)22-13-9-14-5-6-15(10-13)26(14)3/h7-8,11,13-15H,4-6,9-10H2,1-3H3,(H,22,28)/t14-,15-/m0/s1
InChIKeyIIVHNQWIFZDTIP-GJZGRUSLSA-N
XLogP2.77
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 98220618) is 6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCn1ccc(-c2cc(C(=O)NC3C[C@@H]4CC[C@@H](C3)N4C)c3c(C)noc3n2)n1.
What is the InChIKey of 6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IIVHNQWIFZDTIP-GJZGRUSLSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-4-27-8-7-17(24-27)18-11-16(19-12(2)25-29-21(19)23-18)20(28)22-13-9-14-5-6-15(10-13)26(14)3/h7-8,11,13-15H,4-6,9-10H2,1-3H3,(H,22,28)/t14-,15-/m0/s1.
What are the key properties of 6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 98220618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).