N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-3-carboxamide

C17H21N3O2S — CID 97083953

IUPACN-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-3-carboxamide
SMILESO=C(c1n[nH]c2ccccc12)N(C[C@@H]1CCCO1)[C@H]1CCSC1
InChIInChI=1S/C17H21N3O2S/c21-17(16-14-5-1-2-6-15(14)18-19-16)20(12-7-9-23-11-12)10-13-4-3-8-22-13/h1-2,5-6,12-13H,3-4,7-11H2,(H,18,19)/t12-,13-/m0/s1
InChIKeyIYZQNPOGJNLXAL-STQMWFEESA-N
MW331.44 g/mol
LogP2.69
Rot. Bonds4

About N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-3-carboxamide

N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-3-carboxamide (PubChem CID 97083953) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-3-carboxamide
PubChem CID97083953
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-3-carboxamide
SMILESO=C(c1n[nH]c2ccccc12)N(C[C@@H]1CCCO1)[C@H]1CCSC1
InChIInChI=1S/C17H21N3O2S/c21-17(16-14-5-1-2-6-15(14)18-19-16)20(12-7-9-23-11-12)10-13-4-3-8-22-13/h1-2,5-6,12-13H,3-4,7-11H2,(H,18,19)/t12-,13-/m0/s1
InChIKeyIYZQNPOGJNLXAL-STQMWFEESA-N
XLogP2.69
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-indazole-3-carboxamide
CID 97083951
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]isoquinoline-1-carboxamide
CID 95326524
N-(oxolan-2-ylmethyl)-1H-indazole-3-carboxamide
CID 4877074
N-[[(2R)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-7-carboxamide
CID 97079734
N-[(2-hydroxyphenyl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-cinnoline-3-carboxamide
CID 99564416
2-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1,3-thiazole-5-carboxamide
CID 95192653
5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 125153508
5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide
CID 97078581
5-bromo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furan-2-carboxamide
CID 55613442
N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(3R)-thiolan-3-yl]prop-2-ynamide
CID 96569970
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyrrole-2-carboxamide
CID 97067533
N-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide
CID 95376670

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-3-carboxamide (CID 97083953) is N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-3-carboxamide is O=C(c1n[nH]c2ccccc12)N(C[C@@H]1CCCO1)[C@H]1CCSC1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-3-carboxamide?
The InChIKey is IYZQNPOGJNLXAL-STQMWFEESA-N. The full InChI is InChI=1S/C17H21N3O2S/c21-17(16-14-5-1-2-6-15(14)18-19-16)20(12-7-9-23-11-12)10-13-4-3-8-22-13/h1-2,5-6,12-13H,3-4,7-11H2,(H,18,19)/t12-,13-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-3-carboxamide?
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-3-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 97083953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).