(2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-3-carboxamide

C15H16N6O2 — CID 128966420

IUPAC(2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-3-carboxamide
SMILESCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2nnc3ccccn23)cn1
InChIInChI=1S/C15H16N6O2/c1-20-9-10(8-16-20)13-11(5-7-23-13)14(22)17-15-19-18-12-4-2-3-6-21(12)15/h2-4,6,8-9,11,13H,5,7H2,1H3,(H,17,19,22)/t11-,13+/m0/s1
InChIKeyQBYUVUFBJBNOSO-WCQYABFASA-N
MW312.33 g/mol
LogP1.18
Rot. Bonds3

About (2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-3-carboxamide

(2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-3-carboxamide (PubChem CID 128966420) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is (2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-3-carboxamide
PubChem CID128966420
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name(2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-3-carboxamide
SMILESCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2nnc3ccccn23)cn1
InChIInChI=1S/C15H16N6O2/c1-20-9-10(8-16-20)13-11(5-7-23-13)14(22)17-15-19-18-12-4-2-3-6-21(12)15/h2-4,6,8-9,11,13H,5,7H2,1H3,(H,17,19,22)/t11-,13+/m0/s1
InChIKeyQBYUVUFBJBNOSO-WCQYABFASA-N
XLogP1.18
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-3-carboxamide (CID 128966420) is (2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-3-carboxamide is Cn1cc([C@H]2OCC[C@@H]2C(=O)Nc2nnc3ccccn23)cn1.
What is the InChIKey of (2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-3-carboxamide?
The InChIKey is QBYUVUFBJBNOSO-WCQYABFASA-N. The full InChI is InChI=1S/C15H16N6O2/c1-20-9-10(8-16-20)13-11(5-7-23-13)14(22)17-15-19-18-12-4-2-3-6-21(12)15/h2-4,6,8-9,11,13H,5,7H2,1H3,(H,17,19,22)/t11-,13+/m0/s1.
What are the key properties of (2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-3-carboxamide?
(2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-3-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128966420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).