4-[6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile

C158H142N34O7 — CID 158040848

IUPAC4-[6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESCN(C)C1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(C#N)cc5)cnc4cn3)cc2)CC1.CN1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2)CC1=O.CN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(C#N)cc5)cnc4cn3)cc2)CC1.CN1CCN(C2CCN(C(=O)c3ccc(-c4ccc5ncc(-c6ccc(C#N)cc6)n5c4)cc3)CC2)CC1.N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)cn23)cc1.N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)nn23)cc1
InChIInChI=1S/C31H32N6O.C27H26N6O.C26H21N5O2.C25H22N6O.C25H21N5O.C24H20N6O/c1-34-16-18-35(19-17-34)28-12-14-36(15-13-28)31(38)26-8-6-24(7-9-26)27-10-11-30-33-21-29(37(30)22-27)25-4-2-23(20-32)3-5-25;1-31(2)23-11-13-32(14-12-23)27(34)22-9-7-20(8-10-22)24-18-33-25(16-30-26(33)17-29-24)21-5-3-19(15-28)4-6-21;1-29-12-13-30(17-25(29)32)26(33)21-8-6-19(7-9-21)22-10-11-24-28-15-23(31(24)16-22)20-4-2-18(14-27)3-5-20;1-29-10-12-30(13-11-29)25(32)21-8-6-19(7-9-21)22-17-31-23(15-28-24(31)16-27-22)20-4-2-18(14-26)3-5-20;26-15-18-1-3-20(4-2-18)23-16-28-24-10-9-22(17-30(23)24)19-5-7-21(8-6-19)25(31)29-13-11-27-12-14-29;25-15-17-1-3-19(4-2-17)22-16-27-23-10-9-21(28-30(22)23)18-5-7-20(8-6-18)24(31)29-13-11-26-12-14-29/h2-11,21-22,28H,12-19H2,1H3;3-10,16-18,23H,11-14H2,1-2H3;2-11,15-16H,12-13,17H2,1H3;2-9,15-17H,10-13H2,1H3;1-10,16-17,27H,11-14H2;1-10,16,26H,11-14H2
InChIKeyFIIIMLDWBNEOLE-UHFFFAOYSA-N
MW2629.10 g/mol
LogP21.84
Rot. Bonds20

About 4-[6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile

4-[6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile (PubChem CID 158040848) has the molecular formula C158H142N34O7 and a molecular weight of 2629.10 g/mol. Its IUPAC name is 4-[6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
PubChem CID158040848
Molecular FormulaC158H142N34O7
Molecular Weight2629.10 g/mol
Exact Mass2627.18
IUPAC Name4-[6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESCN(C)C1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(C#N)cc5)cnc4cn3)cc2)CC1.CN1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2)CC1=O.CN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(C#N)cc5)cnc4cn3)cc2)CC1.CN1CCN(C2CCN(C(=O)c3ccc(-c4ccc5ncc(-c6ccc(C#N)cc6)n5c4)cc3)CC2)CC1.N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)cn23)cc1.N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)nn23)cc1
InChIInChI=1S/C31H32N6O.C27H26N6O.C26H21N5O2.C25H22N6O.C25H21N5O.C24H20N6O/c1-34-16-18-35(19-17-34)28-12-14-36(15-13-28)31(38)26-8-6-24(7-9-26)27-10-11-30-33-21-29(37(30)22-27)25-4-2-23(20-32)3-5-25;1-31(2)23-11-13-32(14-12-23)27(34)22-9-7-20(8-10-22)24-18-33-25(16-30-26(33)17-29-24)21-5-3-19(15-28)4-6-21;1-29-12-13-30(17-25(29)32)26(33)21-8-6-19(7-9-21)22-10-11-24-28-15-23(31(24)16-22)20-4-2-18(14-27)3-5-20;1-29-10-12-30(13-11-29)25(32)21-8-6-19(7-9-21)22-17-31-23(15-28-24(31)16-27-22)20-4-2-18(14-26)3-5-20;26-15-18-1-3-20(4-2-18)23-16-28-24-10-9-22(17-30(23)24)19-5-7-21(8-6-19)25(31)29-13-11-27-12-14-29;25-15-17-1-3-19(4-2-17)22-16-27-23-10-9-21(28-30(22)23)18-5-7-20(8-6-18)24(31)29-13-11-26-12-14-29/h2-11,21-22,28H,12-19H2,1H3;3-10,16-18,23H,11-14H2,1-2H3;2-11,15-16H,12-13,17H2,1H3;2-9,15-17H,10-13H2,1H3;1-10,16-17,27H,11-14H2;1-10,16,26H,11-14H2
InChIKeyFIIIMLDWBNEOLE-UHFFFAOYSA-N
XLogP21.84
TPSA464.40 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds20
Heavy Atoms199
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002629.10
LogP ≤ 521.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Analyze 4-[6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The IUPAC name of 4-[6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile (CID 158040848) is 4-[6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile.
What is the SMILES notation for 4-[6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The canonical SMILES for 4-[6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile is CN(C)C1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(C#N)cc5)cnc4cn3)cc2)CC1.CN1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2)CC1=O.CN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(C#N)cc5)cnc4cn3)cc2)CC1.CN1CCN(C2CCN(C(=O)c3ccc(-c4ccc5ncc(-c6ccc(C#N)cc6)n5c4)cc3)CC2)CC1.N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)cn23)cc1.N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)nn23)cc1.
What is the InChIKey of 4-[6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The InChIKey is FIIIMLDWBNEOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O.C27H26N6O.C26H21N5O2.C25H22N6O.C25H21N5O.C24H20N6O/c1-34-16-18-35(19-17-34)28-12-14-36(15-13-28)31(38)26-8-6-24(7-9-26)27-10-11-30-33-21-29(37(30)22-27)25-4-2-23(20-32)3-5-25;1-31(2)23-11-13-32(14-12-23)27(34)22-9-7-20(8-10-22)24-18-33-25(16-30-26(33)17-29-24)21-5-3-19(15-28)4-6-21;1-29-12-13-30(17-25(29)32)26(33)21-8-6-19(7-9-21)22-10-11-24-28-15-23(31(24)16-22)20-4-2-18(14-27)3-5-20;1-29-10-12-30(13-11-29)25(32)21-8-6-19(7-9-21)22-17-31-23(15-28-24(31)16-27-22)20-4-2-18(14-26)3-5-20;26-15-18-1-3-20(4-2-18)23-16-28-24-10-9-22(17-30(23)24)19-5-7-21(8-6-19)25(31)29-13-11-27-12-14-29;25-15-17-1-3-19(4-2-17)22-16-27-23-10-9-21(28-30(22)23)18-5-7-20(8-6-18)24(31)29-13-11-26-12-14-29/h2-11,21-22,28H,12-19H2,1H3;3-10,16-18,23H,11-14H2,1-2H3;2-11,15-16H,12-13,17H2,1H3;2-9,15-17H,10-13H2,1H3;1-10,16-17,27H,11-14H2;1-10,16,26H,11-14H2.
What are the key properties of 4-[6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
4-[6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile has a molecular weight of 2629.10 g/mol, XLogP of 21.84, 20 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;4-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile;4-[6-[4-(piperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile is sourced from PubChem (CID 158040848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).