(2R)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

C20H21N3O3 — CID 95897378

IUPAC(2R)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)Oc1cccc2c1c(NC(=O)[C@H]1Cc3ccccc3O1)nn2C
InChIInChI=1S/C20H21N3O3/c1-12(2)25-16-10-6-8-14-18(16)19(22-23(14)3)21-20(24)17-11-13-7-4-5-9-15(13)26-17/h4-10,12,17H,11H2,1-3H3,(H,21,22,24)/t17-/m1/s1
InChIKeyGTGFLGNHRTUEOD-QGZVFWFLSA-N
MW351.41 g/mol
LogP3.30
Rot. Bonds4

About (2R)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 95897378) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (2R)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID95897378
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(2R)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)Oc1cccc2c1c(NC(=O)[C@H]1Cc3ccccc3O1)nn2C
InChIInChI=1S/C20H21N3O3/c1-12(2)25-16-10-6-8-14-18(16)19(22-23(14)3)21-20(24)17-11-13-7-4-5-9-15(13)26-17/h4-10,12,17H,11H2,1-3H3,(H,21,22,24)/t17-/m1/s1
InChIKeyGTGFLGNHRTUEOD-QGZVFWFLSA-N
XLogP3.30
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 95897378) is (2R)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is CC(C)Oc1cccc2c1c(NC(=O)[C@H]1Cc3ccccc3O1)nn2C.
What is the InChIKey of (2R)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is GTGFLGNHRTUEOD-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-12(2)25-16-10-6-8-14-18(16)19(22-23(14)3)21-20(24)17-11-13-7-4-5-9-15(13)26-17/h4-10,12,17H,11H2,1-3H3,(H,21,22,24)/t17-/m1/s1.
What are the key properties of (2R)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-methyl-4-propan-2-yloxyindazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95897378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).