4-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine

C21H25N5OS — CID 69050553

IUPAC4-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine
SMILESCn1cc(-c2cn(S)c3ncc(C4=CCC(N5CCOCC5)CC4)cc23)cn1
InChIInChI=1S/C21H25N5OS/c1-24-13-17(12-23-24)20-14-26(28)21-19(20)10-16(11-22-21)15-2-4-18(5-3-15)25-6-8-27-9-7-25/h2,10-14,18,28H,3-9H2,1H3
InChIKeyUSHOCIJXFJAGGE-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.40
Rot. Bonds3

About 4-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine

4-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine (PubChem CID 69050553) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 4-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine
PubChem CID69050553
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name4-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine
SMILESCn1cc(-c2cn(S)c3ncc(C4=CCC(N5CCOCC5)CC4)cc23)cn1
InChIInChI=1S/C21H25N5OS/c1-24-13-17(12-23-24)20-14-26(28)21-19(20)10-16(11-22-21)15-2-4-18(5-3-15)25-6-8-27-9-7-25/h2,10-14,18,28H,3-9H2,1H3
InChIKeyUSHOCIJXFJAGGE-UHFFFAOYSA-N
XLogP3.40
TPSA48.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine 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-[2-[4-[5-(cyclopenten-1-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
CID 69052356
N-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]oxan-4-amine
CID 69051293
4-[4-[1-methyl-3-(1H-pyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]cyclohex-3-en-1-yl]-1,4-oxazepane
CID 136646973
3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1-sulfanylpyrrolo[2,3-b]pyridine
CID 69051160
4-[4-[1-(benzenesulfonyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]-1,4-oxazepane
CID 143731673
4-[4-[3-[1-(difluoromethyl)pyrazol-4-yl]-1-sulfanyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine
CID 87673355
5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridine
CID 70922298
(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-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine
CID 59238624
4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]-N-propan-2-ylcyclohexan-1-amine
CID 69051327
2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol
CID 69052567
6-(4-morpholin-4-ylcyclohexen-1-yl)pyridin-3-amine
CID 86692452

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine?
The IUPAC name of 4-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine (CID 69050553) is 4-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine.
What is the SMILES notation for 4-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine?
The canonical SMILES for 4-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine is Cn1cc(-c2cn(S)c3ncc(C4=CCC(N5CCOCC5)CC4)cc23)cn1.
What is the InChIKey of 4-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine?
The InChIKey is USHOCIJXFJAGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-24-13-17(12-23-24)20-14-26(28)21-19(20)10-16(11-22-21)15-2-4-18(5-3-15)25-6-8-27-9-7-25/h2,10-14,18,28H,3-9H2,1H3.
What are the key properties of 4-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine?
4-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine has a molecular weight of 395.53 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine is sourced from PubChem (CID 69050553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).