N-[(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxamide

C17H20N6O2 — CID 136584076

IUPACN-[(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCCn1nccc1[C@@H]1OCC[C@H]1NC(=O)c1ccnc2nc(C)[nH]c12
InChIInChI=1S/C17H20N6O2/c1-3-23-13(5-8-19-23)15-12(6-9-25-15)22-17(24)11-4-7-18-16-14(11)20-10(2)21-16/h4-5,7-8,12,15H,3,6,9H2,1-2H3,(H,22,24)(H,18,20,21)/t12-,15-/m1/s1
InChIKeyHAQGUNZKUHNUMD-IUODEOHRSA-N
MW340.39 g/mol
LogP1.74
Rot. Bonds4

About N-[(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxamide

N-[(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 136584076) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID136584076
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-[(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCCn1nccc1[C@@H]1OCC[C@H]1NC(=O)c1ccnc2nc(C)[nH]c12
InChIInChI=1S/C17H20N6O2/c1-3-23-13(5-8-19-23)15-12(6-9-25-15)22-17(24)11-4-7-18-16-14(11)20-10(2)21-16/h4-5,7-8,12,15H,3,6,9H2,1-2H3,(H,22,24)(H,18,20,21)/t12-,15-/m1/s1
InChIKeyHAQGUNZKUHNUMD-IUODEOHRSA-N
XLogP1.74
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-[(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 136584076) is N-[(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-[(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-[(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxamide is CCn1nccc1[C@@H]1OCC[C@H]1NC(=O)c1ccnc2nc(C)[nH]c12.
What is the InChIKey of N-[(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is HAQGUNZKUHNUMD-IUODEOHRSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-3-23-13(5-8-19-23)15-12(6-9-25-15)22-17(24)11-4-7-18-16-14(11)20-10(2)21-16/h4-5,7-8,12,15H,3,6,9H2,1-2H3,(H,22,24)(H,18,20,21)/t12-,15-/m1/s1.
What are the key properties of N-[(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxamide?
N-[(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 136584076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).