2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol

C23H27N5O — CID 25008844

IUPAC2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol
SMILESOCCn1ccc2ccc(CN3CCCC(Nc4ccc5[nH]ncc5c4)C3)cc21
InChIInChI=1S/C23H27N5O/c29-11-10-28-9-7-18-4-3-17(12-23(18)28)15-27-8-1-2-21(16-27)25-20-5-6-22-19(13-20)14-24-26-22/h3-7,9,12-14,21,25,29H,1-2,8,10-11,15-16H2,(H,24,26)
InChIKeyXEQSNPVXRPAPMJ-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.59
Rot. Bonds6

About 2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol

2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol (PubChem CID 25008844) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol.

Molecular Properties

Compound Name2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol
PubChem CID25008844
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol
SMILESOCCn1ccc2ccc(CN3CCCC(Nc4ccc5[nH]ncc5c4)C3)cc21
InChIInChI=1S/C23H27N5O/c29-11-10-28-9-7-18-4-3-17(12-23(18)28)15-27-8-1-2-21(16-27)25-20-5-6-22-19(13-20)14-24-26-22/h3-7,9,12-14,21,25,29H,1-2,8,10-11,15-16H2,(H,24,26)
InChIKeyXEQSNPVXRPAPMJ-UHFFFAOYSA-N
XLogP3.59
TPSA69.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol with MolForge

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Related Compounds

4-({2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559059
4-({2-[6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559060
4-({2-[6-(1H-pyrazol-5-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559061
(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine
CID 71254066
Cdk8-IN-4
CID 75202254
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
6-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-1H-indazole
CID 25093328
N-(1-(pyridin-4-ylmethyl)piperidin-3-yl)-1H-indazol-5-amine
CID 44421856
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]azetidin-3-ol
CID 59473365
2-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-methylanilino]ethanol
CID 59473598
N-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide
CID 118959880
2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine
CID 118959991

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol?
The IUPAC name of 2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol (CID 25008844) is 2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol.
What is the SMILES notation for 2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol?
The canonical SMILES for 2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol is OCCn1ccc2ccc(CN3CCCC(Nc4ccc5[nH]ncc5c4)C3)cc21.
What is the InChIKey of 2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol?
The InChIKey is XEQSNPVXRPAPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c29-11-10-28-9-7-18-4-3-17(12-23(18)28)15-27-8-1-2-21(16-27)25-20-5-6-22-19(13-20)14-24-26-22/h3-7,9,12-14,21,25,29H,1-2,8,10-11,15-16H2,(H,24,26).
What are the key properties of 2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol?
2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol has a molecular weight of 389.50 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol is sourced from PubChem (CID 25008844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).