(2R,3R)-N-(6-methoxy-1H-indazol-3-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide

C17H19N5O3 — CID 128989629

IUPAC(2R,3R)-N-(6-methoxy-1H-indazol-3-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
SMILESCOc1ccc2c(NC(=O)[C@@H]3CCO[C@H]3c3nccn3C)n[nH]c2c1
InChIInChI=1S/C17H19N5O3/c1-22-7-6-18-16(22)14-12(5-8-25-14)17(23)19-15-11-4-3-10(24-2)9-13(11)20-21-15/h3-4,6-7,9,12,14H,5,8H2,1-2H3,(H2,19,20,21,23)/t12-,14-/m1/s1
InChIKeyLSSLHYOXYLRLQI-TZMCWYRMSA-N
MW341.37 g/mol
LogP2.02
Rot. Bonds4

About (2R,3R)-N-(6-methoxy-1H-indazol-3-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide

(2R,3R)-N-(6-methoxy-1H-indazol-3-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide (PubChem CID 128989629) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is (2R,3R)-N-(6-methoxy-1H-indazol-3-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(6-methoxy-1H-indazol-3-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
PubChem CID128989629
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name(2R,3R)-N-(6-methoxy-1H-indazol-3-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
SMILESCOc1ccc2c(NC(=O)[C@@H]3CCO[C@H]3c3nccn3C)n[nH]c2c1
InChIInChI=1S/C17H19N5O3/c1-22-7-6-18-16(22)14-12(5-8-25-14)17(23)19-15-11-4-3-10(24-2)9-13(11)20-21-15/h3-4,6-7,9,12,14H,5,8H2,1-2H3,(H2,19,20,21,23)/t12-,14-/m1/s1
InChIKeyLSSLHYOXYLRLQI-TZMCWYRMSA-N
XLogP2.02
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(6-methoxy-1H-indazol-3-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-(6-methoxy-1H-indazol-3-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide (CID 128989629) is (2R,3R)-N-(6-methoxy-1H-indazol-3-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(6-methoxy-1H-indazol-3-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(6-methoxy-1H-indazol-3-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide is COc1ccc2c(NC(=O)[C@@H]3CCO[C@H]3c3nccn3C)n[nH]c2c1.
What is the InChIKey of (2R,3R)-N-(6-methoxy-1H-indazol-3-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The InChIKey is LSSLHYOXYLRLQI-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-22-7-6-18-16(22)14-12(5-8-25-14)17(23)19-15-11-4-3-10(24-2)9-13(11)20-21-15/h3-4,6-7,9,12,14H,5,8H2,1-2H3,(H2,19,20,21,23)/t12-,14-/m1/s1.
What are the key properties of (2R,3R)-N-(6-methoxy-1H-indazol-3-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
(2R,3R)-N-(6-methoxy-1H-indazol-3-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(6-methoxy-1H-indazol-3-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128989629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).