(3S,4R)-4-phenyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpyrrolidin-3-amine;hydrochloride

C20H25ClN4O2S — CID 120766752

IUPAC(3S,4R)-4-phenyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCC(C)n1ncc2cc(S(=O)(=O)N3C[C@@H](N)[C@H](c4ccccc4)C3)ccc21.Cl
InChIInChI=1S/C20H24N4O2S.ClH/c1-14(2)24-20-9-8-17(10-16(20)11-22-24)27(25,26)23-12-18(19(21)13-23)15-6-4-3-5-7-15;/h3-11,14,18-19H,12-13,21H2,1-2H3;1H/t18-,19+;/m0./s1
InChIKeyMTJPUWQYDHUCSS-GRTNUQQKSA-N
MW420.97 g/mol
LogP3.15
Rot. Bonds4

About (3S,4R)-4-phenyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpyrrolidin-3-amine;hydrochloride

(3S,4R)-4-phenyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 120766752) has the molecular formula C20H25ClN4O2S and a molecular weight of 420.97 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID120766752
Molecular FormulaC20H25ClN4O2S
Molecular Weight420.97 g/mol
Exact Mass420.14
IUPAC Name(3S,4R)-4-phenyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCC(C)n1ncc2cc(S(=O)(=O)N3C[C@@H](N)[C@H](c4ccccc4)C3)ccc21.Cl
InChIInChI=1S/C20H24N4O2S.ClH/c1-14(2)24-20-9-8-17(10-16(20)11-22-24)27(25,26)23-12-18(19(21)13-23)15-6-4-3-5-7-15;/h3-11,14,18-19H,12-13,21H2,1-2H3;1H/t18-,19+;/m0./s1
InChIKeyMTJPUWQYDHUCSS-GRTNUQQKSA-N
XLogP3.15
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.97
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-4-phenyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpyrrolidin-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-4-phenyl-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 120766881
(3S,4R)-1-[(6-methyl-3-pyridinyl)sulfonyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766996
(3S,4R)-1-(4-methoxy-3-methylphenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766926
(3S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120767196
(3S,4R)-1-(4-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 90406705
(3S,4R)-1-(3-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766465
(3S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766609
(3S,4R)-1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120767116
(3S,4R)-1-[(5-chloro-3-pyridinyl)sulfonyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766635
(3S,4R)-1-(3,5-difluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120767014
(3S,4R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-4-phenylpyrrolidin-3-amine
CID 120766733
(3S,4R)-1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766928

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S,4R)-4-phenyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 120766752) is (3S,4R)-4-phenyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-4-phenyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S,4R)-4-phenyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpyrrolidin-3-amine;hydrochloride is CC(C)n1ncc2cc(S(=O)(=O)N3C[C@@H](N)[C@H](c4ccccc4)C3)ccc21.Cl.
What is the InChIKey of (3S,4R)-4-phenyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is MTJPUWQYDHUCSS-GRTNUQQKSA-N. The full InChI is InChI=1S/C20H24N4O2S.ClH/c1-14(2)24-20-9-8-17(10-16(20)11-22-24)27(25,26)23-12-18(19(21)13-23)15-6-4-3-5-7-15;/h3-11,14,18-19H,12-13,21H2,1-2H3;1H/t18-,19+;/m0./s1.
What are the key properties of (3S,4R)-4-phenyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
(3S,4R)-4-phenyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 420.97 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120766752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).