2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol

C19H25N5OS — CID 69052567

IUPAC2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol
SMILESCn1cc(-c2cn(S)c3ncc(C4CCC(NCCO)CC4)cc23)cn1
InChIInChI=1S/C19H25N5OS/c1-23-11-15(10-22-23)18-12-24(26)19-17(18)8-14(9-21-19)13-2-4-16(5-3-13)20-6-7-25/h8-13,16,20,25-26H,2-7H2,1H3
InChIKeyLERMPJGHQWTRBW-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.74
Rot. Bonds5

About 2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol

2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol (PubChem CID 69052567) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol
PubChem CID69052567
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol
SMILESCn1cc(-c2cn(S)c3ncc(C4CCC(NCCO)CC4)cc23)cn1
InChIInChI=1S/C19H25N5OS/c1-23-11-15(10-22-23)18-12-24(26)19-17(18)8-14(9-21-19)13-2-4-16(5-3-13)20-6-7-25/h8-13,16,20,25-26H,2-7H2,1H3
InChIKeyLERMPJGHQWTRBW-UHFFFAOYSA-N
XLogP2.74
TPSA67.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol with MolForge

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Related Compounds

4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]-N-propan-2-ylcyclohexan-1-amine
CID 69051327
N-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]oxan-4-amine
CID 69051293
3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1-sulfanylpyrrolo[2,3-b]pyridine
CID 69051160
4-[1-sulfanyl-3-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-one
CID 69052887
5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridine
CID 70922298
bis(N,N-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine);bis(3-(1-methylpyrazol-4-yl)-5-(4-piperidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine);3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol
CID 157145937
2-[[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol
CID 143731790
5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 147382339
2-[[4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]-propylamino]ethanol;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]-propylamino]ethanol
CID 157165611
4-[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine
CID 69050553
N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 54980066
5-[4-(azetidin-1-yl)cyclohexyl]-1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
CID 59238703

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol?
The IUPAC name of 2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol (CID 69052567) is 2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol.
What is the SMILES notation for 2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol?
The canonical SMILES for 2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol is Cn1cc(-c2cn(S)c3ncc(C4CCC(NCCO)CC4)cc23)cn1.
What is the InChIKey of 2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol?
The InChIKey is LERMPJGHQWTRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-23-11-15(10-22-23)18-12-24(26)19-17(18)8-14(9-21-19)13-2-4-16(5-3-13)20-6-7-25/h8-13,16,20,25-26H,2-7H2,1H3.
What are the key properties of 2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol?
2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol has a molecular weight of 371.51 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol is sourced from PubChem (CID 69052567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).