(6R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide

C20H25N3O2 — CID 124507400

IUPAC(6R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
SMILESO=C([C@@H]1CCc2cn[nH]c2C1)N(Cc1ccccc1)C[C@@H]1CCCO1
InChIInChI=1S/C20H25N3O2/c24-20(16-8-9-17-12-21-22-19(17)11-16)23(14-18-7-4-10-25-18)13-15-5-2-1-3-6-15/h1-3,5-6,12,16,18H,4,7-11,13-14H2,(H,21,22)/t16-,18+/m1/s1
InChIKeySRXJCYDRFKLIGO-AEFFLSMTSA-N
MW339.44 g/mol
LogP2.72
Rot. Bonds5

About (6R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide

(6R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide (PubChem CID 124507400) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (6R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
PubChem CID124507400
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(6R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
SMILESO=C([C@@H]1CCc2cn[nH]c2C1)N(Cc1ccccc1)C[C@@H]1CCCO1
InChIInChI=1S/C20H25N3O2/c24-20(16-8-9-17-12-21-22-19(17)11-16)23(14-18-7-4-10-25-18)13-15-5-2-1-3-6-15/h1-3,5-6,12,16,18H,4,7-11,13-14H2,(H,21,22)/t16-,18+/m1/s1
InChIKeySRXJCYDRFKLIGO-AEFFLSMTSA-N
XLogP2.72
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide with MolForge

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Related Compounds

4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129467722
(3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 94641042
N-benzyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 75390609
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
(1R,2S,4R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98790853
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
CID 119302482
2-chloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118818
[(2S)-oxolan-2-yl]methyl-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66997327
N-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 56583198
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 1059704
2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
CID 119747350

Frequently Asked Questions

What is the IUPAC name of (6R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The IUPAC name of (6R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide (CID 124507400) is (6R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide.
What is the SMILES notation for (6R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The canonical SMILES for (6R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide is O=C([C@@H]1CCc2cn[nH]c2C1)N(Cc1ccccc1)C[C@@H]1CCCO1.
What is the InChIKey of (6R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The InChIKey is SRXJCYDRFKLIGO-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-20(16-8-9-17-12-21-22-19(17)11-16)23(14-18-7-4-10-25-18)13-15-5-2-1-3-6-15/h1-3,5-6,12,16,18H,4,7-11,13-14H2,(H,21,22)/t16-,18+/m1/s1.
What are the key properties of (6R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
(6R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide is sourced from PubChem (CID 124507400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).