(2S)-2-methyl-1-methylsulfonyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide

C19H24N4O4S — CID 52510936

IUPAC(2S)-2-methyl-1-methylsulfonyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide
SMILESC[C@H]1Cc2cc(C(=O)Nc3ccnn3C[C@@H]3CCOC3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C19H24N4O4S/c1-13-9-16-10-15(3-4-17(16)23(13)28(2,25)26)19(24)21-18-5-7-20-22(18)11-14-6-8-27-12-14/h3-5,7,10,13-14H,6,8-9,11-12H2,1-2H3,(H,21,24)/t13-,14-/m0/s1
InChIKeyVSUXAMLSACTRNY-KBPBESRZSA-N
MW404.49 g/mol
LogP1.88
Rot. Bonds5

About (2S)-2-methyl-1-methylsulfonyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide

(2S)-2-methyl-1-methylsulfonyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide (PubChem CID 52510936) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is (2S)-2-methyl-1-methylsulfonyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-1-methylsulfonyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide
PubChem CID52510936
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name(2S)-2-methyl-1-methylsulfonyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide
SMILESC[C@H]1Cc2cc(C(=O)Nc3ccnn3C[C@@H]3CCOC3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C19H24N4O4S/c1-13-9-16-10-15(3-4-17(16)23(13)28(2,25)26)19(24)21-18-5-7-20-22(18)11-14-6-8-27-12-14/h3-5,7,10,13-14H,6,8-9,11-12H2,1-2H3,(H,21,24)/t13-,14-/m0/s1
InChIKeyVSUXAMLSACTRNY-KBPBESRZSA-N
XLogP1.88
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-methylsulfonyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2S)-2-methyl-1-methylsulfonyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide (CID 52510936) is (2S)-2-methyl-1-methylsulfonyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2S)-2-methyl-1-methylsulfonyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2S)-2-methyl-1-methylsulfonyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide is C[C@H]1Cc2cc(C(=O)Nc3ccnn3C[C@@H]3CCOC3)ccc2N1S(C)(=O)=O.
What is the InChIKey of (2S)-2-methyl-1-methylsulfonyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is VSUXAMLSACTRNY-KBPBESRZSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-13-9-16-10-15(3-4-17(16)23(13)28(2,25)26)19(24)21-18-5-7-20-22(18)11-14-6-8-27-12-14/h3-5,7,10,13-14H,6,8-9,11-12H2,1-2H3,(H,21,24)/t13-,14-/m0/s1.
What are the key properties of (2S)-2-methyl-1-methylsulfonyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide?
(2S)-2-methyl-1-methylsulfonyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-methylsulfonyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 52510936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).