[4-[6-[(3R)-1-(1H-indol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]methanol

C25H26N4O — CID 95820106

IUPAC[4-[6-[(3R)-1-(1H-indol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]methanol
SMILESOCc1ccc(-c2cncc([C@@H]3CCCN(Cc4ccc5[nH]ccc5c4)C3)n2)cc1
InChIInChI=1S/C25H26N4O/c30-17-18-3-6-20(7-4-18)24-13-26-14-25(28-24)22-2-1-11-29(16-22)15-19-5-8-23-21(12-19)9-10-27-23/h3-10,12-14,22,27,30H,1-2,11,15-17H2/t22-/m1/s1
InChIKeyMAHDIRSFGBEBMP-JOCHJYFZSA-N
MW398.51 g/mol
LogP4.50
Rot. Bonds5

About [4-[6-[(3R)-1-(1H-indol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]methanol

[4-[6-[(3R)-1-(1H-indol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]methanol (PubChem CID 95820106) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is [4-[6-[(3R)-1-(1H-indol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-[(3R)-1-(1H-indol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]methanol
PubChem CID95820106
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name[4-[6-[(3R)-1-(1H-indol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]methanol
SMILESOCc1ccc(-c2cncc([C@@H]3CCCN(Cc4ccc5[nH]ccc5c4)C3)n2)cc1
InChIInChI=1S/C25H26N4O/c30-17-18-3-6-20(7-4-18)24-13-26-14-25(28-24)22-2-1-11-29(16-22)15-19-5-8-23-21(12-19)9-10-27-23/h3-10,12-14,22,27,30H,1-2,11,15-17H2/t22-/m1/s1
InChIKeyMAHDIRSFGBEBMP-JOCHJYFZSA-N
XLogP4.50
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[6-[(3R)-1-(1H-indol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]methanol?
The IUPAC name of [4-[6-[(3R)-1-(1H-indol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]methanol (CID 95820106) is [4-[6-[(3R)-1-(1H-indol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-[(3R)-1-(1H-indol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]methanol?
The canonical SMILES for [4-[6-[(3R)-1-(1H-indol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]methanol is OCc1ccc(-c2cncc([C@@H]3CCCN(Cc4ccc5[nH]ccc5c4)C3)n2)cc1.
What is the InChIKey of [4-[6-[(3R)-1-(1H-indol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]methanol?
The InChIKey is MAHDIRSFGBEBMP-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H26N4O/c30-17-18-3-6-20(7-4-18)24-13-26-14-25(28-24)22-2-1-11-29(16-22)15-19-5-8-23-21(12-19)9-10-27-23/h3-10,12-14,22,27,30H,1-2,11,15-17H2/t22-/m1/s1.
What are the key properties of [4-[6-[(3R)-1-(1H-indol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]methanol?
[4-[6-[(3R)-1-(1H-indol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]methanol has a molecular weight of 398.51 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[(3R)-1-(1H-indol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]methanol is sourced from PubChem (CID 95820106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).