(3R)-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine

C21H20N4O2S — CID 25067564

IUPAC(3R)-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1
InChIInChI=1S/C21H20N4O2S/c22-15-10-11-25(13-15)16-8-9-19-18(12-16)21(24-23-19)28(26,27)20-7-3-5-14-4-1-2-6-17(14)20/h1-9,12,15H,10-11,13,22H2,(H,23,24)/t15-/m1/s1
InChIKeyOPTAOWZLDMSBKX-OAHLLOKOSA-N
MW392.48 g/mol
LogP3.09
Rot. Bonds3

About (3R)-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine

(3R)-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine (PubChem CID 25067564) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is (3R)-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine
PubChem CID25067564
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name(3R)-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1
InChIInChI=1S/C21H20N4O2S/c22-15-10-11-25(13-15)16-8-9-19-18(12-16)21(24-23-19)28(26,27)20-7-3-5-14-4-1-2-6-17(14)20/h1-9,12,15H,10-11,13,22H2,(H,23,24)/t15-/m1/s1
InChIKeyOPTAOWZLDMSBKX-OAHLLOKOSA-N
XLogP3.09
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Way-255315
CID 10430623
5-(4-Methylpiperazin-1-yl)-3-tosyl-1H-indazole
CID 49836621
(3R)-N,N-Dimethyl-1-[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]pyrrolidin-3-amine
CID 25117676
5-(4-Methylpiperazin-1-yl)-3-(m-tolylsulfonyl)-1H-indazole
CID 49836620
4-(piperazin-1-yl)-3-tosyl-1H-indazole
CID 49836506
3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
CID 50993932
3-naphthalen-2-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
CID 53318145
3-(3-methylphenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
CID 53319477
3-naphthalen-1-ylsulfonyl-5-(piperazin-1-ylmethyl)-2H-indazole;hydrochloride
CID 53323401
N-piperidin-4-yl-3-(4-propan-2-ylphenyl)sulfonyl-2H-indazol-5-amine;hydrochloride
CID 53323442
5-(4-Methylpiperazin-1-yl)-3-(1-naphthalenesulfonyl)-1H-indazole
CID 9978683
3-(4-Fluorophenylsulfonyl)-5-(4-methylpiperazin-1-yl)-1H-indazole
CID 10068007

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine (CID 25067564) is (3R)-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine is N[C@@H]1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1.
What is the InChIKey of (3R)-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine?
The InChIKey is OPTAOWZLDMSBKX-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20N4O2S/c22-15-10-11-25(13-15)16-8-9-19-18(12-16)21(24-23-19)28(26,27)20-7-3-5-14-4-1-2-6-17(14)20/h1-9,12,15H,10-11,13,22H2,(H,23,24)/t15-/m1/s1.
What are the key properties of (3R)-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine?
(3R)-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine has a molecular weight of 392.48 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-amine is sourced from PubChem (CID 25067564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).