2-[[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol

C18H23N5O — CID 143731790

IUPAC2-[[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol
SMILESOCCNC1CCC(c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)CC1
InChIInChI=1S/C18H23N5O/c24-6-5-19-15-3-1-12(2-4-15)13-7-16-17(14-9-22-23-10-14)11-21-18(16)20-8-13/h7-12,15,19,24H,1-6H2,(H,20,21)(H,22,23)
InChIKeyUVKKRCQDUHCNNJ-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.56
Rot. Bonds5

About 2-[[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol

2-[[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol (PubChem CID 143731790) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol
PubChem CID143731790
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-[[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol
SMILESOCCNC1CCC(c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)CC1
InChIInChI=1S/C18H23N5O/c24-6-5-19-15-3-1-12(2-4-15)13-7-16-17(14-9-22-23-10-14)11-21-18(16)20-8-13/h7-12,15,19,24H,1-6H2,(H,20,21)(H,22,23)
InChIKeyUVKKRCQDUHCNNJ-UHFFFAOYSA-N
XLogP2.56
TPSA89.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

N,N-diethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine
CID 143731812
5-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 143731723
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
5-(2-cyclohexylethyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 67600745
2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol
CID 69052567
5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 147382339
N-(cyclohexylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 59811916
3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine
CID 25024002
5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine
CID 59238866
[4-[1-(benzenesulfonyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]methanol
CID 143731787
4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
CID 59811985
N-ethyl-N-propan-2-yl-4-[3-(1H-pyrazol-1-ium-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine
CID 143731842

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol?
The IUPAC name of 2-[[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol (CID 143731790) is 2-[[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol.
What is the SMILES notation for 2-[[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol?
The canonical SMILES for 2-[[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol is OCCNC1CCC(c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)CC1.
What is the InChIKey of 2-[[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol?
The InChIKey is UVKKRCQDUHCNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-6-5-19-15-3-1-12(2-4-15)13-7-16-17(14-9-22-23-10-14)11-21-18(16)20-8-13/h7-12,15,19,24H,1-6H2,(H,20,21)(H,22,23).
What are the key properties of 2-[[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol?
2-[[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol has a molecular weight of 325.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol is sourced from PubChem (CID 143731790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).