(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

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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).