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

C27H33N5O — CID 155194629

IUPAC[4-[5-(piperidin-4-ylmethoxy)-3-(4-pyrrolidin-1-ylphenyl)pyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C27H33N5O/c28-17-20-3-5-22(6-4-20)26-27(23-7-9-24(10-8-23)32-15-1-2-16-32)31-25(18-30-26)33-19-21-11-13-29-14-12-21/h3-10,18,21,29H,1-2,11-17,19,28H2
InChIKeyIOYJKWLRSLSBER-UHFFFAOYSA-N
MW443.60 g/mol
LogP4.25
Rot. Bonds7

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

[4-[5-(piperidin-4-ylmethoxy)-3-(4-pyrrolidin-1-ylphenyl)pyrazin-2-yl]phenyl]methanamine (PubChem CID 155194629) has the molecular formula C27H33N5O and a molecular weight of 443.60 g/mol. Its IUPAC name is [4-[5-(piperidin-4-ylmethoxy)-3-(4-pyrrolidin-1-ylphenyl)pyrazin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(piperidin-4-ylmethoxy)-3-(4-pyrrolidin-1-ylphenyl)pyrazin-2-yl]phenyl]methanamine
PubChem CID155194629
Molecular FormulaC27H33N5O
Molecular Weight443.60 g/mol
Exact Mass443.27
IUPAC Name[4-[5-(piperidin-4-ylmethoxy)-3-(4-pyrrolidin-1-ylphenyl)pyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C27H33N5O/c28-17-20-3-5-22(6-4-20)26-27(23-7-9-24(10-8-23)32-15-1-2-16-32)31-25(18-30-26)33-19-21-11-13-29-14-12-21/h3-10,18,21,29H,1-2,11-17,19,28H2
InChIKeyIOYJKWLRSLSBER-UHFFFAOYSA-N
XLogP4.25
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-5-(2,6-difluorophenyl)-3-(6-(piperidin-3-yloxy)pyrazin-2-yl)-1H-indole
CID 67959860
1-(4-{5-[(piperidin-4-yl)methoxy]-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl}phenyl)methanamine
CID 138320061
[4-[3-[4-(Oxolan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
CID 155194240
[4-[3-[6-(Oxan-4-yl)-3-pyridinyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
CID 155194366
[4-[3-(1H-indol-5-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
CID 155194368
[4-[3-[4-(Oxan-4-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
CID 155194384
[4-[6-(Piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine
CID 155194392
4-[3-(4-Bromophenyl)-6-(piperidin-4-ylmethoxy)pyrazin-2-yl]benzonitrile
CID 127024953
N,N-dimethyl-2-[6-[3-[4-(trifluoromethyl)phenyl]-1H-indol-5-yl]pyrazin-2-yl]oxyethanamine
CID 145963077
5-(6-piperidin-4-yloxypyrazin-2-yl)-3-[4-(trifluoromethyl)phenyl]-1H-indole
CID 145963108
[4-[3-[4-(Hydroxymethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanol
CID 164612234
1-[4-[3-[4-[(dimethylamino)methyl]phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N,N-dimethylmethanamine
CID 164612593

Frequently Asked Questions

What is the IUPAC name of [4-[5-(piperidin-4-ylmethoxy)-3-(4-pyrrolidin-1-ylphenyl)pyrazin-2-yl]phenyl]methanamine?
The IUPAC name of [4-[5-(piperidin-4-ylmethoxy)-3-(4-pyrrolidin-1-ylphenyl)pyrazin-2-yl]phenyl]methanamine (CID 155194629) is [4-[5-(piperidin-4-ylmethoxy)-3-(4-pyrrolidin-1-ylphenyl)pyrazin-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-(piperidin-4-ylmethoxy)-3-(4-pyrrolidin-1-ylphenyl)pyrazin-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-(piperidin-4-ylmethoxy)-3-(4-pyrrolidin-1-ylphenyl)pyrazin-2-yl]phenyl]methanamine is NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of [4-[5-(piperidin-4-ylmethoxy)-3-(4-pyrrolidin-1-ylphenyl)pyrazin-2-yl]phenyl]methanamine?
The InChIKey is IOYJKWLRSLSBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O/c28-17-20-3-5-22(6-4-20)26-27(23-7-9-24(10-8-23)32-15-1-2-16-32)31-25(18-30-26)33-19-21-11-13-29-14-12-21/h3-10,18,21,29H,1-2,11-17,19,28H2.
What are the key properties of [4-[5-(piperidin-4-ylmethoxy)-3-(4-pyrrolidin-1-ylphenyl)pyrazin-2-yl]phenyl]methanamine?
[4-[5-(piperidin-4-ylmethoxy)-3-(4-pyrrolidin-1-ylphenyl)pyrazin-2-yl]phenyl]methanamine has a molecular weight of 443.60 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(piperidin-4-ylmethoxy)-3-(4-pyrrolidin-1-ylphenyl)pyrazin-2-yl]phenyl]methanamine is sourced from PubChem (CID 155194629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).