5-[3-amino-2-[(S)-cyclobutylsulfinyl]-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-6-yl]-1H-pyrimidin-2-one

C19H18N6O2S2 — CID 167341576

IUPAC5-[3-amino-2-[(S)-cyclobutylsulfinyl]-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-6-yl]-1H-pyrimidin-2-one
SMILESCn1nccc1-c1cc(-c2cnc(=O)[nH]c2)nc2sc([S@@](=O)C3CCC3)c(N)c12
InChIInChI=1S/C19H18N6O2S2/c1-25-14(5-6-23-25)12-7-13(10-8-21-19(26)22-9-10)24-17-15(12)16(20)18(28-17)29(27)11-3-2-4-11/h5-9,11H,2-4,20H2,1H3,(H,21,22,26)/t29-/m0/s1
InChIKeySKVJORVTSXZMRP-LJAQVGFWSA-N
MW426.53 g/mol
LogP2.69
Rot. Bonds4

About 5-[3-amino-2-[(S)-cyclobutylsulfinyl]-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-6-yl]-1H-pyrimidin-2-one

5-[3-amino-2-[(S)-cyclobutylsulfinyl]-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-6-yl]-1H-pyrimidin-2-one (PubChem CID 167341576) has the molecular formula C19H18N6O2S2 and a molecular weight of 426.53 g/mol. Its IUPAC name is 5-[3-amino-2-[(S)-cyclobutylsulfinyl]-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-6-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[3-amino-2-[(S)-cyclobutylsulfinyl]-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-6-yl]-1H-pyrimidin-2-one
PubChem CID167341576
Molecular FormulaC19H18N6O2S2
Molecular Weight426.53 g/mol
Exact Mass426.09
IUPAC Name5-[3-amino-2-[(S)-cyclobutylsulfinyl]-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-6-yl]-1H-pyrimidin-2-one
SMILESCn1nccc1-c1cc(-c2cnc(=O)[nH]c2)nc2sc([S@@](=O)C3CCC3)c(N)c12
InChIInChI=1S/C19H18N6O2S2/c1-25-14(5-6-23-25)12-7-13(10-8-21-19(26)22-9-10)24-17-15(12)16(20)18(28-17)29(27)11-3-2-4-11/h5-9,11H,2-4,20H2,1H3,(H,21,22,26)/t29-/m0/s1
InChIKeySKVJORVTSXZMRP-LJAQVGFWSA-N
XLogP2.69
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[3-amino-2-[(S)-cyclobutylsulfinyl]-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-6-yl]-1H-pyrimidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-amino-2-[(S)-cyclobutylsulfinyl]-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-6-yl]-1H-pyrimidin-2-one?
The IUPAC name of 5-[3-amino-2-[(S)-cyclobutylsulfinyl]-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-6-yl]-1H-pyrimidin-2-one (CID 167341576) is 5-[3-amino-2-[(S)-cyclobutylsulfinyl]-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-6-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[3-amino-2-[(S)-cyclobutylsulfinyl]-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-6-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 5-[3-amino-2-[(S)-cyclobutylsulfinyl]-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-6-yl]-1H-pyrimidin-2-one is Cn1nccc1-c1cc(-c2cnc(=O)[nH]c2)nc2sc([S@@](=O)C3CCC3)c(N)c12.
What is the InChIKey of 5-[3-amino-2-[(S)-cyclobutylsulfinyl]-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-6-yl]-1H-pyrimidin-2-one?
The InChIKey is SKVJORVTSXZMRP-LJAQVGFWSA-N. The full InChI is InChI=1S/C19H18N6O2S2/c1-25-14(5-6-23-25)12-7-13(10-8-21-19(26)22-9-10)24-17-15(12)16(20)18(28-17)29(27)11-3-2-4-11/h5-9,11H,2-4,20H2,1H3,(H,21,22,26)/t29-/m0/s1.
What are the key properties of 5-[3-amino-2-[(S)-cyclobutylsulfinyl]-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-6-yl]-1H-pyrimidin-2-one?
5-[3-amino-2-[(S)-cyclobutylsulfinyl]-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-6-yl]-1H-pyrimidin-2-one has a molecular weight of 426.53 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-amino-2-[(S)-cyclobutylsulfinyl]-4-(2-methylpyrazol-3-yl)thieno[2,3-b]pyridin-6-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 167341576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).