(2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)oxolane-3-carboxamide

C15H16N6O2 — CID 128992514

IUPAC(2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)oxolane-3-carboxamide
SMILESCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2ccc3nncn3c2)cn1
InChIInChI=1S/C15H16N6O2/c1-20-7-10(6-17-20)14-12(4-5-23-14)15(22)18-11-2-3-13-19-16-9-21(13)8-11/h2-3,6-9,12,14H,4-5H2,1H3,(H,18,22)/t12-,14+/m0/s1
InChIKeyZGQYPGUJVBBASV-GXTWGEPZSA-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-6-yl)oxolane-3-carboxamide

(2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)oxolane-3-carboxamide (PubChem CID 128992514) 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-6-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)oxolane-3-carboxamide
PubChem CID128992514
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-6-yl)oxolane-3-carboxamide
SMILESCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2ccc3nncn3c2)cn1
InChIInChI=1S/C15H16N6O2/c1-20-7-10(6-17-20)14-12(4-5-23-14)15(22)18-11-2-3-13-19-16-9-21(13)8-11/h2-3,6-9,12,14H,4-5H2,1H3,(H,18,22)/t12-,14+/m0/s1
InChIKeyZGQYPGUJVBBASV-GXTWGEPZSA-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-6-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)oxolane-3-carboxamide (CID 128992514) is (2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-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-6-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)oxolane-3-carboxamide is Cn1cc([C@H]2OCC[C@@H]2C(=O)Nc2ccc3nncn3c2)cn1.
What is the InChIKey of (2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)oxolane-3-carboxamide?
The InChIKey is ZGQYPGUJVBBASV-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-20-7-10(6-17-20)14-12(4-5-23-14)15(22)18-11-2-3-13-19-16-9-21(13)8-11/h2-3,6-9,12,14H,4-5H2,1H3,(H,18,22)/t12-,14+/m0/s1.
What are the key properties of (2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)oxolane-3-carboxamide?
(2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-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-6-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128992514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).