N-[2-(4-chlorophenyl)ethyl]-1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazine-3-carboxamide

C20H15Cl2N5O — CID 134789741

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)nc2)c2cnccn12
InChIInChI=1S/C20H15Cl2N5O/c21-15-4-1-13(2-5-15)7-8-24-20(28)19-26-18(14-3-6-17(22)25-11-14)16-12-23-9-10-27(16)19/h1-6,9-12H,7-8H2,(H,24,28)
InChIKeyQNGHYUASNCIJMN-UHFFFAOYSA-N
MW412.28 g/mol
LogP4.07
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazine-3-carboxamide (PubChem CID 134789741) has the molecular formula C20H15Cl2N5O and a molecular weight of 412.28 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazine-3-carboxamide
PubChem CID134789741
Molecular FormulaC20H15Cl2N5O
Molecular Weight412.28 g/mol
Exact Mass411.07
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)nc2)c2cnccn12
InChIInChI=1S/C20H15Cl2N5O/c21-15-4-1-13(2-5-15)7-8-24-20(28)19-26-18(14-3-6-17(22)25-11-14)16-12-23-9-10-27(16)19/h1-6,9-12H,7-8H2,(H,24,28)
InChIKeyQNGHYUASNCIJMN-UHFFFAOYSA-N
XLogP4.07
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.28
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-prop-2-ynylimidazo[1,5-a]pyrazine-3-carboxamide
CID 134795389
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide
CID 134791778
N-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691406
N-[2-(4-chlorophenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521072
2-(4-chlorophenyl)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 38772567
2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708
N-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703993
N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide
CID 18372521
N-[2-(4-chlorophenyl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853491
4-[2-(benzylamino)pyrimidin-5-yl]-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 53108683
1-tert-butyl-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyrazine-3-carboxamide
CID 134790638
N-[2-(4-chlorophenyl)ethyl]-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038539

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazine-3-carboxamide (CID 134789741) is N-[2-(4-chlorophenyl)ethyl]-1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazine-3-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)nc2)c2cnccn12.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is QNGHYUASNCIJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O/c21-15-4-1-13(2-5-15)7-8-24-20(28)19-26-18(14-3-6-17(22)25-11-14)16-12-23-9-10-27(16)19/h1-6,9-12H,7-8H2,(H,24,28).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 412.28 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 134789741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).