5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridine

C15H18N4S — CID 70922298

IUPAC5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridine
SMILESCC(C)Cc1cnc2c(c1)c(-c1cnn(C)c1)cn2S
InChIInChI=1S/C15H18N4S/c1-10(2)4-11-5-13-14(12-7-17-18(3)8-12)9-19(20)15(13)16-6-11/h5-10,20H,4H2,1-3H3
InChIKeyBYJZJKZLQBHWHN-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.33
Rot. Bonds3

About 5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridine

5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridine (PubChem CID 70922298) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridine
PubChem CID70922298
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridine
SMILESCC(C)Cc1cnc2c(c1)c(-c1cnn(C)c1)cn2S
InChIInChI=1S/C15H18N4S/c1-10(2)4-11-5-13-14(12-7-17-18(3)8-12)9-19(20)15(13)16-6-11/h5-10,20H,4H2,1-3H3
InChIKeyBYJZJKZLQBHWHN-UHFFFAOYSA-N
XLogP3.33
TPSA35.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridine 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

4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]-N-propan-2-ylcyclohexan-1-amine
CID 69051327
2-(1-methylpiperidin-4-yl)-4-[5-(2-methylpropyl)-1-sulfanylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
CID 70930299
3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1-sulfanylpyrrolo[2,3-b]pyridine
CID 69051160
2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol
CID 69052567
N-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]oxan-4-amine
CID 69051293
(1R,4R)-5-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carbonitrile
CID 69050480
4-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine
CID 69050553
2-methyl-N-[[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65197740
4-[2-[4-[5-(cyclopenten-1-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
CID 69052356
5-bromo-1-sulfanyl-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
CID 70930308
3-(2-methylpropyl)-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
CID 58873815
N-[5-(2-methylpropyl)pyridazin-3-yl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
CID 118504173

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridine (CID 70922298) is 5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridine is CC(C)Cc1cnc2c(c1)c(-c1cnn(C)c1)cn2S.
What is the InChIKey of 5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridine?
The InChIKey is BYJZJKZLQBHWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-10(2)4-11-5-13-14(12-7-17-18(3)8-12)9-19(20)15(13)16-6-11/h5-10,20H,4H2,1-3H3.
What are the key properties of 5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridine?
5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridine has a molecular weight of 286.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70922298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).