(2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxolane-3-carboxamide

C22H26N6O2 — CID 129323566

IUPAC(2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxolane-3-carboxamide
SMILESCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCO[C@@H]1c1cnn(Cc3ccccc3)c1)CC2
InChIInChI=1S/C22H26N6O2/c1-15-24-20-8-7-18(14-28(20)26-15)25-22(29)19-9-10-30-21(19)17-11-23-27(13-17)12-16-5-3-2-4-6-16/h2-6,11,13,18-19,21H,7-10,12,14H2,1H3,(H,25,29)/t18-,19-,21+/m0/s1
InChIKeyBZWPWQYEYOTNGP-IRFCIJBXSA-N
MW406.49 g/mol
LogP2.04
Rot. Bonds5

About (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxolane-3-carboxamide

(2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxolane-3-carboxamide (PubChem CID 129323566) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxolane-3-carboxamide
PubChem CID129323566
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name(2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxolane-3-carboxamide
SMILESCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCO[C@@H]1c1cnn(Cc3ccccc3)c1)CC2
InChIInChI=1S/C22H26N6O2/c1-15-24-20-8-7-18(14-28(20)26-15)25-22(29)19-9-10-30-21(19)17-11-23-27(13-17)12-16-5-3-2-4-6-16/h2-6,11,13,18-19,21H,7-10,12,14H2,1H3,(H,25,29)/t18-,19-,21+/m0/s1
InChIKeyBZWPWQYEYOTNGP-IRFCIJBXSA-N
XLogP2.04
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxolane-3-carboxamide (CID 129323566) is (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxolane-3-carboxamide is Cc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCO[C@@H]1c1cnn(Cc3ccccc3)c1)CC2.
What is the InChIKey of (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxolane-3-carboxamide?
The InChIKey is BZWPWQYEYOTNGP-IRFCIJBXSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-15-24-20-8-7-18(14-28(20)26-15)25-22(29)19-9-10-30-21(19)17-11-23-27(13-17)12-16-5-3-2-4-6-16/h2-6,11,13,18-19,21H,7-10,12,14H2,1H3,(H,25,29)/t18-,19-,21+/m0/s1.
What are the key properties of (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxolane-3-carboxamide?
(2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxolane-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxolane-3-carboxamide is sourced from PubChem (CID 129323566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).