N-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine

C19H22N4O2S — CID 25009525

IUPACN-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
SMILESCS(=O)(=O)c1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C19H22N4O2S/c1-26(24,25)18-5-2-14(3-6-18)12-23-9-8-17(13-23)21-16-4-7-19-15(10-16)11-20-22-19/h2-7,10-11,17,21H,8-9,12-13H2,1H3,(H,20,22)
InChIKeyXKFGCNGELSXIMD-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.65
Rot. Bonds5

About N-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine

N-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine (PubChem CID 25009525) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
PubChem CID25009525
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
SMILESCS(=O)(=O)c1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C19H22N4O2S/c1-26(24,25)18-5-2-14(3-6-18)12-23-9-8-17(13-23)21-16-4-7-19-15(10-16)11-20-22-19/h2-7,10-11,17,21H,8-9,12-13H2,1H3,(H,20,22)
InChIKeyXKFGCNGELSXIMD-UHFFFAOYSA-N
XLogP2.65
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine (CID 25009525) is N-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine is CS(=O)(=O)c1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1.
What is the InChIKey of N-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine?
The InChIKey is XKFGCNGELSXIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-26(24,25)18-5-2-14(3-6-18)12-23-9-8-17(13-23)21-16-4-7-19-15(10-16)11-20-22-19/h2-7,10-11,17,21H,8-9,12-13H2,1H3,(H,20,22).
What are the key properties of N-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine?
N-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine has a molecular weight of 370.48 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 25009525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).