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

C23H27N5O — CID 25008670

IUPAC2-[6-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol
SMILESOCCn1ccc2ccc(CN3CCC[C@@H](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)/t21-/m1/s1
InChIKeyXEQSNPVXRPAPMJ-OAQYLSRUSA-N
MW389.50 g/mol
LogP3.59
Rot. Bonds6

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

2-[6-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol (PubChem CID 25008670) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[6-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol.

Molecular Properties

Compound Name2-[6-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol
PubChem CID25008670
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-[6-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol
SMILESOCCn1ccc2ccc(CN3CCC[C@@H](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)/t21-/m1/s1
InChIKeyXEQSNPVXRPAPMJ-OAQYLSRUSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol?
The IUPAC name of 2-[6-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol (CID 25008670) is 2-[6-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol.
What is the SMILES notation for 2-[6-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol?
The canonical SMILES for 2-[6-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol is OCCn1ccc2ccc(CN3CCC[C@@H](Nc4ccc5[nH]ncc5c4)C3)cc21.
What is the InChIKey of 2-[6-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol?
The InChIKey is XEQSNPVXRPAPMJ-OAQYLSRUSA-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)/t21-/m1/s1.
What are the key properties of 2-[6-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol?
2-[6-[[(3R)-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-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]indol-1-yl]ethanol is sourced from PubChem (CID 25008670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).