[4-[3-(1H-indol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine

C25H27N5O — CID 155194368

IUPAC[4-[3-(1H-indol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C25H27N5O/c26-14-17-1-3-19(4-2-17)24-25(21-5-6-22-20(13-21)9-12-28-22)30-23(15-29-24)31-16-18-7-10-27-11-8-18/h1-6,9,12-13,15,18,27-28H,7-8,10-11,14,16,26H2
InChIKeyTWTCYXBWWUGXEC-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.13
Rot. Bonds6

About [4-[3-(1H-indol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine

[4-[3-(1H-indol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine (PubChem CID 155194368) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is [4-[3-(1H-indol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(1H-indol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
PubChem CID155194368
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name[4-[3-(1H-indol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C25H27N5O/c26-14-17-1-3-19(4-2-17)24-25(21-5-6-22-20(13-21)9-12-28-22)30-23(15-29-24)31-16-18-7-10-27-11-8-18/h1-6,9,12-13,15,18,27-28H,7-8,10-11,14,16,26H2
InChIKeyTWTCYXBWWUGXEC-UHFFFAOYSA-N
XLogP4.13
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-[3-(1H-indol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-{6-[(4r)-6-Azaspiro[2.5]oct-4-Yloxy]pyrazin-2-Yl}-5-(2,6-Difluorophenyl)-1h-Indazole
CID 67960061
(R)-5-(2,6-difluorophenyl)-3-(6-(piperidin-3-yloxy)pyrazin-2-yl)-1H-indole
CID 67959860
3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(2,6-difluorophenyl)-1H-indazole
CID 67960181
(R)-3-(6-(6-Azaspiro[2.5]octan-4-yloxy)pyrazin-2-yl)-5-(2-fluorophenyl)-1H-indazole
CID 118725604
4-[3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-1H-indazol-5-yl]-3-fluoroaniline
CID 118725611
5-(2,6-difluorophenyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
CID 67959600
5-(2,6-difluorophenyl)-3-(6-piperidin-4-yloxypyrazin-2-yl)-1H-indazole
CID 67960161
4-[5-(6-ethoxypyrazin-2-yl)-1H-indol-3-yl]pyrimidin-2-amine
CID 90656756
4-[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine
CID 90656757
4-[5-[6-[2-(diethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine
CID 90656758
4-[5-[6-[3-(dimethylamino)propoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine
CID 90656759
4-[5-[6-[3-(diethylamino)propoxy]pyrazin-2-yl]-1H-indol-3-yl]pyrimidin-2-amine
CID 90656760

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1H-indol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine?
The IUPAC name of [4-[3-(1H-indol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine (CID 155194368) is [4-[3-(1H-indol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[3-(1H-indol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[3-(1H-indol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine is NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of [4-[3-(1H-indol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine?
The InChIKey is TWTCYXBWWUGXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c26-14-17-1-3-19(4-2-17)24-25(21-5-6-22-20(13-21)9-12-28-22)30-23(15-29-24)31-16-18-7-10-27-11-8-18/h1-6,9,12-13,15,18,27-28H,7-8,10-11,14,16,26H2.
What are the key properties of [4-[3-(1H-indol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine?
[4-[3-(1H-indol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine has a molecular weight of 413.53 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1H-indol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine is sourced from PubChem (CID 155194368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).