(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butan-1-amine

C11H16N4O2S — CID 125498053

IUPAC(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butan-1-amine
SMILESCCC[C@H](N)c1cc(S(C)(=O)=O)nc2[nH]ncc12
InChIInChI=1S/C11H16N4O2S/c1-3-4-9(12)7-5-10(18(2,16)17)14-11-8(7)6-13-15-11/h5-6,9H,3-4,12H2,1-2H3,(H,13,14,15)/t9-/m0/s1
InChIKeyGJGPNPMEVZOTAB-VIFPVBQESA-N
MW268.34 g/mol
LogP1.16
Rot. Bonds4

About (1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butan-1-amine

(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butan-1-amine (PubChem CID 125498053) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is (1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butan-1-amine.

Molecular Properties

Compound Name(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butan-1-amine
PubChem CID125498053
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butan-1-amine
SMILESCCC[C@H](N)c1cc(S(C)(=O)=O)nc2[nH]ncc12
InChIInChI=1S/C11H16N4O2S/c1-3-4-9(12)7-5-10(18(2,16)17)14-11-8(7)6-13-15-11/h5-6,9H,3-4,12H2,1-2H3,(H,13,14,15)/t9-/m0/s1
InChIKeyGJGPNPMEVZOTAB-VIFPVBQESA-N
XLogP1.16
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butan-1-amine 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

6-chloro-4-(2-methylpentoxy)-1H-pyrazolo[5,4-d]pyrimidine
CID 103283689
4-ethoxy-N-(2-methoxy-4-methylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 164806062
2-methylpropane;6-methyl-4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine
CID 156859530
(1S)-1-phenanthren-9-ylbutan-1-amine
CID 171232433
3-N-(1H-indazol-5-yl)-1-N-(4-methylsulfonylphenyl)hexane-1,3-diamine
CID 143370535
N-[5-(1-aminobutyl)-2-pyridinyl]methanesulfonamide
CID 70888079
1-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 43650551
(6-bromo-1H-pyrazolo[5,4-b]pyridin-4-yl)methanamine
CID 133059794
1-(5-phenyl-1H-pyrazol-4-yl)hexan-1-amine
CID 122552660
2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557102
ethyl 6-methoxy-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
CID 139542716
5-[(1R)-1-aminobutyl]-8-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridin-3-amine
CID 166483908

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butan-1-amine?
The IUPAC name of (1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butan-1-amine (CID 125498053) is (1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butan-1-amine.
What is the SMILES notation for (1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butan-1-amine?
The canonical SMILES for (1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butan-1-amine is CCC[C@H](N)c1cc(S(C)(=O)=O)nc2[nH]ncc12.
What is the InChIKey of (1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butan-1-amine?
The InChIKey is GJGPNPMEVZOTAB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-3-4-9(12)7-5-10(18(2,16)17)14-11-8(7)6-13-15-11/h5-6,9H,3-4,12H2,1-2H3,(H,13,14,15)/t9-/m0/s1.
What are the key properties of (1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butan-1-amine?
(1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butan-1-amine has a molecular weight of 268.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-methylsulfonyl-1H-pyrazolo[5,4-b]pyridin-4-yl)butan-1-amine is sourced from PubChem (CID 125498053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).