5-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]pyrazine-2-carbonitrile

C30H24ClN7O — CID 121309772

IUPAC5-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccccc5)cn34)CC2)cn1
InChIInChI=1S/C30H24ClN7O/c31-24-9-6-22(7-10-24)29-27(38-19-23(8-11-28(38)35-29)21-4-2-1-3-5-21)20-36-12-14-37(15-13-36)30(39)26-18-33-25(16-32)17-34-26/h1-11,17-19H,12-15,20H2
InChIKeyXSOPXCLPEKUVFB-UHFFFAOYSA-N
MW534.02 g/mol
LogP4.94
Rot. Bonds5

About 5-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]pyrazine-2-carbonitrile

5-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]pyrazine-2-carbonitrile (PubChem CID 121309772) has the molecular formula C30H24ClN7O and a molecular weight of 534.02 g/mol. Its IUPAC name is 5-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]pyrazine-2-carbonitrile
PubChem CID121309772
Molecular FormulaC30H24ClN7O
Molecular Weight534.02 g/mol
Exact Mass533.17
IUPAC Name5-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccccc5)cn34)CC2)cn1
InChIInChI=1S/C30H24ClN7O/c31-24-9-6-22(7-10-24)29-27(38-19-23(8-11-28(38)35-29)21-4-2-1-3-5-21)20-36-12-14-37(15-13-36)30(39)26-18-33-25(16-32)17-34-26/h1-11,17-19H,12-15,20H2
InChIKeyXSOPXCLPEKUVFB-UHFFFAOYSA-N
XLogP4.94
TPSA90.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.02
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]pyrazine-2-carbonitrile (CID 121309772) is 5-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]pyrazine-2-carbonitrile is N#Cc1cnc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccccc5)cn34)CC2)cn1.
What is the InChIKey of 5-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]pyrazine-2-carbonitrile?
The InChIKey is XSOPXCLPEKUVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClN7O/c31-24-9-6-22(7-10-24)29-27(38-19-23(8-11-28(38)35-29)21-4-2-1-3-5-21)20-36-12-14-37(15-13-36)30(39)26-18-33-25(16-32)17-34-26/h1-11,17-19H,12-15,20H2.
What are the key properties of 5-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]pyrazine-2-carbonitrile?
5-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]pyrazine-2-carbonitrile has a molecular weight of 534.02 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 121309772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).