(2-amino-5-cyclopenta-1,4-dien-1-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-[(E)-2-phenylethenyl]-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone

C149H147FN30O7 — CID 159378074

IUPAC(2-amino-5-cyclopenta-1,4-dien-1-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-[(E)-2-phenylethenyl]-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone
SMILESCOc1ccccc1C1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1.Cc1cccc(C2CN(c3cccc(C(=O)c4cccnc4N)n3)CCN2)c1.Nc1ncc(/C=C/c2ccccc2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.Nc1ncc(C2=CCC=C2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.Nc1ncc(CCc2ccccc2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.Nc1ncccc1C(=O)c1cccc(N2CCNC(c3ccc(F)cc3)C2)n1
InChIInChI=1S/C29H29N5O.C29H27N5O.C26H25N5O.C22H23N5O2.C22H23N5O.C21H20FN5O/c2*30-29-24(18-22(19-32-29)15-14-21-8-3-1-4-9-21)28(35)25-12-7-13-27(33-25)34-17-16-31-26(20-34)23-10-5-2-6-11-23;27-26-21(15-20(16-29-26)18-7-4-5-8-18)25(32)22-11-6-12-24(30-22)31-14-13-28-23(17-31)19-9-2-1-3-10-19;1-29-19-9-3-2-6-15(19)18-14-27(13-12-24-18)20-10-4-8-17(26-20)21(28)16-7-5-11-25-22(16)23;1-15-5-2-6-16(13-15)19-14-27(12-11-24-19)20-9-3-8-18(26-20)21(28)17-7-4-10-25-22(17)23;22-15-8-6-14(7-9-15)18-13-27(12-11-24-18)19-5-1-4-17(26-19)20(28)16-3-2-10-25-21(16)23/h1-13,18-19,26,31H,14-17,20H2,(H2,30,32);1-15,18-19,26,31H,16-17,20H2,(H2,30,32);1-4,6-12,15-16,23,28H,5,13-14,17H2,(H2,27,29);2-11,18,24H,12-14H2,1H3,(H2,23,25);2-10,13,19,24H,11-12,14H2,1H3,(H2,23,25);1-10,18,24H,11-13H2,(H2,23,25)/b;15-14+;;;;
InChIKeyLKOKKUUMWHNYRY-TWPNBRPISA-N
MW2489.02 g/mol
LogP20.40
Rot. Bonds31

About (2-amino-5-cyclopenta-1,4-dien-1-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-[(E)-2-phenylethenyl]-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone

(2-amino-5-cyclopenta-1,4-dien-1-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-[(E)-2-phenylethenyl]-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone (PubChem CID 159378074) has the molecular formula C149H147FN30O7 and a molecular weight of 2489.02 g/mol. Its IUPAC name is (2-amino-5-cyclopenta-1,4-dien-1-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-[(E)-2-phenylethenyl]-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-5-cyclopenta-1,4-dien-1-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-[(E)-2-phenylethenyl]-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone
PubChem CID159378074
Molecular FormulaC149H147FN30O7
Molecular Weight2489.02 g/mol
Exact Mass2487.21
IUPAC Name(2-amino-5-cyclopenta-1,4-dien-1-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-[(E)-2-phenylethenyl]-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone
SMILESCOc1ccccc1C1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1.Cc1cccc(C2CN(c3cccc(C(=O)c4cccnc4N)n3)CCN2)c1.Nc1ncc(/C=C/c2ccccc2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.Nc1ncc(C2=CCC=C2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.Nc1ncc(CCc2ccccc2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.Nc1ncccc1C(=O)c1cccc(N2CCNC(c3ccc(F)cc3)C2)n1
InChIInChI=1S/C29H29N5O.C29H27N5O.C26H25N5O.C22H23N5O2.C22H23N5O.C21H20FN5O/c2*30-29-24(18-22(19-32-29)15-14-21-8-3-1-4-9-21)28(35)25-12-7-13-27(33-25)34-17-16-31-26(20-34)23-10-5-2-6-11-23;27-26-21(15-20(16-29-26)18-7-4-5-8-18)25(32)22-11-6-12-24(30-22)31-14-13-28-23(17-31)19-9-2-1-3-10-19;1-29-19-9-3-2-6-15(19)18-14-27(13-12-24-18)20-10-4-8-17(26-20)21(28)16-7-5-11-25-22(16)23;1-15-5-2-6-16(13-15)19-14-27(12-11-24-19)20-9-3-8-18(26-20)21(28)17-7-4-10-25-22(17)23;22-15-8-6-14(7-9-15)18-13-27(12-11-24-18)19-5-1-4-17(26-19)20(28)16-3-2-10-25-21(16)23/h1-13,18-19,26,31H,14-17,20H2,(H2,30,32);1-15,18-19,26,31H,16-17,20H2,(H2,30,32);1-4,6-12,15-16,23,28H,5,13-14,17H2,(H2,27,29);2-11,18,24H,12-14H2,1H3,(H2,23,25);2-10,13,19,24H,11-12,14H2,1H3,(H2,23,25);1-10,18,24H,11-13H2,(H2,23,25)/b;15-14+;;;;
InChIKeyLKOKKUUMWHNYRY-TWPNBRPISA-N
XLogP20.40
TPSA514.07 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds31
Heavy Atoms187
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002489.02
LogP ≤ 520.40
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Analyze (2-amino-5-cyclopenta-1,4-dien-1-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-[(E)-2-phenylethenyl]-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-cyclopenta-1,4-dien-1-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-[(E)-2-phenylethenyl]-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone?
The IUPAC name of (2-amino-5-cyclopenta-1,4-dien-1-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-[(E)-2-phenylethenyl]-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone (CID 159378074) is (2-amino-5-cyclopenta-1,4-dien-1-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-[(E)-2-phenylethenyl]-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-5-cyclopenta-1,4-dien-1-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-[(E)-2-phenylethenyl]-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-5-cyclopenta-1,4-dien-1-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-[(E)-2-phenylethenyl]-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone is COc1ccccc1C1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1.Cc1cccc(C2CN(c3cccc(C(=O)c4cccnc4N)n3)CCN2)c1.Nc1ncc(/C=C/c2ccccc2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.Nc1ncc(C2=CCC=C2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.Nc1ncc(CCc2ccccc2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.Nc1ncccc1C(=O)c1cccc(N2CCNC(c3ccc(F)cc3)C2)n1.
What is the InChIKey of (2-amino-5-cyclopenta-1,4-dien-1-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-[(E)-2-phenylethenyl]-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone?
The InChIKey is LKOKKUUMWHNYRY-TWPNBRPISA-N. The full InChI is InChI=1S/C29H29N5O.C29H27N5O.C26H25N5O.C22H23N5O2.C22H23N5O.C21H20FN5O/c2*30-29-24(18-22(19-32-29)15-14-21-8-3-1-4-9-21)28(35)25-12-7-13-27(33-25)34-17-16-31-26(20-34)23-10-5-2-6-11-23;27-26-21(15-20(16-29-26)18-7-4-5-8-18)25(32)22-11-6-12-24(30-22)31-14-13-28-23(17-31)19-9-2-1-3-10-19;1-29-19-9-3-2-6-15(19)18-14-27(13-12-24-18)20-10-4-8-17(26-20)21(28)16-7-5-11-25-22(16)23;1-15-5-2-6-16(13-15)19-14-27(12-11-24-19)20-9-3-8-18(26-20)21(28)17-7-4-10-25-22(17)23;22-15-8-6-14(7-9-15)18-13-27(12-11-24-18)19-5-1-4-17(26-19)20(28)16-3-2-10-25-21(16)23/h1-13,18-19,26,31H,14-17,20H2,(H2,30,32);1-15,18-19,26,31H,16-17,20H2,(H2,30,32);1-4,6-12,15-16,23,28H,5,13-14,17H2,(H2,27,29);2-11,18,24H,12-14H2,1H3,(H2,23,25);2-10,13,19,24H,11-12,14H2,1H3,(H2,23,25);1-10,18,24H,11-13H2,(H2,23,25)/b;15-14+;;;;.
What are the key properties of (2-amino-5-cyclopenta-1,4-dien-1-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-[(E)-2-phenylethenyl]-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone?
(2-amino-5-cyclopenta-1,4-dien-1-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-[(E)-2-phenylethenyl]-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone has a molecular weight of 2489.02 g/mol, XLogP of 20.40, 31 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-cyclopenta-1,4-dien-1-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-[(E)-2-phenylethenyl]-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone is sourced from PubChem (CID 159378074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).