(1R)-1-(1-methylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol

C19H23N5O — CID 51872206

IUPAC(1R)-1-(1-methylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
SMILESCn1cc([C@@H](O)CN2CCN(c3ncccn3)CC2)c2ccccc21
InChIInChI=1S/C19H23N5O/c1-22-13-16(15-5-2-3-6-17(15)22)18(25)14-23-9-11-24(12-10-23)19-20-7-4-8-21-19/h2-8,13,18,25H,9-12,14H2,1H3/t18-/m0/s1
InChIKeyAFIZAACUIUFHCQ-SFHVURJKSA-N
MW337.43 g/mol
LogP1.82
Rot. Bonds4

About (1R)-1-(1-methylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol

(1R)-1-(1-methylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol (PubChem CID 51872206) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (1R)-1-(1-methylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(1-methylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
PubChem CID51872206
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(1R)-1-(1-methylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
SMILESCn1cc([C@@H](O)CN2CCN(c3ncccn3)CC2)c2ccccc21
InChIInChI=1S/C19H23N5O/c1-22-13-16(15-5-2-3-6-17(15)22)18(25)14-23-9-11-24(12-10-23)19-20-7-4-8-21-19/h2-8,13,18,25H,9-12,14H2,1H3/t18-/m0/s1
InChIKeyAFIZAACUIUFHCQ-SFHVURJKSA-N
XLogP1.82
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-(1-methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 51587956
(1S)-1-(1-ethylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 51872225
(1R)-1-(1-ethylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 51872224
1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 82215753
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
1-(1-methylindol-3-yl)-2-sulfanylethanol
CID 116830001
3-hydroxy-3-(1-methylindol-3-yl)propanoic acid
CID 130117642
1-bromo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 112561188
(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol
CID 95438673
(2S)-1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 1485766
1-(4-ethoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 51160406
(2S)-1-(2-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 95390818

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-methylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol?
The IUPAC name of (1R)-1-(1-methylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol (CID 51872206) is (1R)-1-(1-methylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for (1R)-1-(1-methylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol?
The canonical SMILES for (1R)-1-(1-methylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol is Cn1cc([C@@H](O)CN2CCN(c3ncccn3)CC2)c2ccccc21.
What is the InChIKey of (1R)-1-(1-methylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol?
The InChIKey is AFIZAACUIUFHCQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23N5O/c1-22-13-16(15-5-2-3-6-17(15)22)18(25)14-23-9-11-24(12-10-23)19-20-7-4-8-21-19/h2-8,13,18,25H,9-12,14H2,1H3/t18-/m0/s1.
What are the key properties of (1R)-1-(1-methylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol?
(1R)-1-(1-methylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol has a molecular weight of 337.43 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-methylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 51872206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).