5-(piperidin-4-ylmethoxy)-2,3-bis(4-pyridin-3-ylphenyl)pyrazine;hydrochloride

C32H30ClN5O — CID 155194418

IUPAC5-(piperidin-4-ylmethoxy)-2,3-bis(4-pyridin-3-ylphenyl)pyrazine;hydrochloride
SMILESCl.c1cncc(-c2ccc(-c3ncc(OCC4CCNCC4)nc3-c3ccc(-c4cccnc4)cc3)cc2)c1
InChIInChI=1S/C32H29N5O.ClH/c1-3-28(19-34-15-1)24-5-9-26(10-6-24)31-32(27-11-7-25(8-12-27)29-4-2-16-35-20-29)37-30(21-36-31)38-22-23-13-17-33-18-14-23;/h1-12,15-16,19-21,23,33H,13-14,17-18,22H2;1H
InChIKeyDNVUSQDOXXJWLX-UHFFFAOYSA-N
MW536.08 g/mol
LogP6.73
Rot. Bonds7

About 5-(piperidin-4-ylmethoxy)-2,3-bis(4-pyridin-3-ylphenyl)pyrazine;hydrochloride

5-(piperidin-4-ylmethoxy)-2,3-bis(4-pyridin-3-ylphenyl)pyrazine;hydrochloride (PubChem CID 155194418) has the molecular formula C32H30ClN5O and a molecular weight of 536.08 g/mol. Its IUPAC name is 5-(piperidin-4-ylmethoxy)-2,3-bis(4-pyridin-3-ylphenyl)pyrazine;hydrochloride.

Molecular Properties

Compound Name5-(piperidin-4-ylmethoxy)-2,3-bis(4-pyridin-3-ylphenyl)pyrazine;hydrochloride
PubChem CID155194418
Molecular FormulaC32H30ClN5O
Molecular Weight536.08 g/mol
Exact Mass535.21
IUPAC Name5-(piperidin-4-ylmethoxy)-2,3-bis(4-pyridin-3-ylphenyl)pyrazine;hydrochloride
SMILESCl.c1cncc(-c2ccc(-c3ncc(OCC4CCNCC4)nc3-c3ccc(-c4cccnc4)cc3)cc2)c1
InChIInChI=1S/C32H29N5O.ClH/c1-3-28(19-34-15-1)24-5-9-26(10-6-24)31-32(27-11-7-25(8-12-27)29-4-2-16-35-20-29)37-30(21-36-31)38-22-23-13-17-33-18-14-23;/h1-12,15-16,19-21,23,33H,13-14,17-18,22H2;1H
InChIKeyDNVUSQDOXXJWLX-UHFFFAOYSA-N
XLogP6.73
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.08
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(piperidin-4-ylmethoxy)-2,3-bis(4-pyridin-3-ylphenyl)pyrazine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-4-ylmethoxy)-2,3-bis(4-pyridin-3-ylphenyl)pyrazine;hydrochloride?
The IUPAC name of 5-(piperidin-4-ylmethoxy)-2,3-bis(4-pyridin-3-ylphenyl)pyrazine;hydrochloride (CID 155194418) is 5-(piperidin-4-ylmethoxy)-2,3-bis(4-pyridin-3-ylphenyl)pyrazine;hydrochloride.
What is the SMILES notation for 5-(piperidin-4-ylmethoxy)-2,3-bis(4-pyridin-3-ylphenyl)pyrazine;hydrochloride?
The canonical SMILES for 5-(piperidin-4-ylmethoxy)-2,3-bis(4-pyridin-3-ylphenyl)pyrazine;hydrochloride is Cl.c1cncc(-c2ccc(-c3ncc(OCC4CCNCC4)nc3-c3ccc(-c4cccnc4)cc3)cc2)c1.
What is the InChIKey of 5-(piperidin-4-ylmethoxy)-2,3-bis(4-pyridin-3-ylphenyl)pyrazine;hydrochloride?
The InChIKey is DNVUSQDOXXJWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5O.ClH/c1-3-28(19-34-15-1)24-5-9-26(10-6-24)31-32(27-11-7-25(8-12-27)29-4-2-16-35-20-29)37-30(21-36-31)38-22-23-13-17-33-18-14-23;/h1-12,15-16,19-21,23,33H,13-14,17-18,22H2;1H.
What are the key properties of 5-(piperidin-4-ylmethoxy)-2,3-bis(4-pyridin-3-ylphenyl)pyrazine;hydrochloride?
5-(piperidin-4-ylmethoxy)-2,3-bis(4-pyridin-3-ylphenyl)pyrazine;hydrochloride has a molecular weight of 536.08 g/mol, XLogP of 6.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-4-ylmethoxy)-2,3-bis(4-pyridin-3-ylphenyl)pyrazine;hydrochloride is sourced from PubChem (CID 155194418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).