4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;[6-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione) — IUPAC name, SMILES, InChIKey & properties

Name: 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;[6-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione) — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;[6-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione)

4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;[6-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione) (PubChem CID 158441068) has the molecular formula C81H75Cl8F12N19O6 and a molecular weight of 1922.22 g/mol. Its IUPAC name is 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;[6-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione).

Molecular Properties

Compound Name	4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;[6-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione)
PubChem CID	158441068
Molecular Formula	C81H75Cl8F12N19O6
Molecular Weight	1922.22 g/mol
Exact Mass	1917.35
IUPAC Name	4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;[6-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione)
SMILES	CN1CCN(c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1.NCc1cc2ncc(N3CCNC(=O)C3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(N3CCNCC3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(N3CCOCC3)n2cc1-c1ccc(Cl)cc1Cl.O=C(C(=O)C(F)(F)F)C(F)(F)F.O=C(C(=O)C(F)(F)F)C(F)(F)F
InChI	InChI=1S/C19H21Cl2N5.C18H17Cl2N5O.C18H19Cl2N5.C18H18Cl2N4O.2C4F6O2/c1-24-4-6-25(7-5-24)19-11-23-18-8-13(10-22)16(12-26(18)19)15-3-2-14(20)9-17(15)21;19-12-1-2-13(15(20)6-12)14-9-25-16(5-11(14)7-21)23-8-18(25)24-4-3-22-17(26)10-24;19-13-1-2-14(16(20)8-13)15-11-25-17(7-12(15)9-21)23-10-18(25)24-5-3-22-4-6-24;19-13-1-2-14(16(20)8-13)15-11-24-17(7-12(15)9-21)22-10-18(24)23-3-5-25-6-4-23;2*5-3(6,7)1(11)2(12)4(8,9)10/h2-3,8-9,11-12H,4-7,10,22H2,1H3;1-2,5-6,8-9H,3-4,7,10,21H2,(H,22,26);1-2,7-8,10-11,22H,3-6,9,21H2;1-2,7-8,10-11H,3-6,9,21H2;;
InChIKey	HCUWGRKNOJRJQT-UHFFFAOYSA-N
XLogP	15.50
TPSA	308.12 Å²
H-Bond Donors	6
H-Bond Acceptors	24
Rotatable Bonds	14
Heavy Atoms	126
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1922.22
LogP ≤ 5	15.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;[6-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;[6-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione)?

The IUPAC name of 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;[6-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione) (CID 158441068) is 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;[6-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione).

What is the SMILES notation for 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;[6-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione)?

The canonical SMILES for 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;[6-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione) is CN1CCN(c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1.NCc1cc2ncc(N3CCNC(=O)C3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(N3CCNCC3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(N3CCOCC3)n2cc1-c1ccc(Cl)cc1Cl.O=C(C(=O)C(F)(F)F)C(F)(F)F.O=C(C(=O)C(F)(F)F)C(F)(F)F.

What is the InChIKey of 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;[6-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione)?

The InChIKey is HCUWGRKNOJRJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5.C18H17Cl2N5O.C18H19Cl2N5.C18H18Cl2N4O.2C4F6O2/c1-24-4-6-25(7-5-24)19-11-23-18-8-13(10-22)16(12-26(18)19)15-3-2-14(20)9-17(15)21;19-12-1-2-13(15(20)6-12)14-9-25-16(5-11(14)7-21)23-8-18(25)24-4-3-22-17(26)10-24;19-13-1-2-14(16(20)8-13)15-11-25-17(7-12(15)9-21)23-10-18(25)24-5-3-22-4-6-24;19-13-1-2-14(16(20)8-13)15-11-24-17(7-12(15)9-21)22-10-18(24)23-3-5-25-6-4-23;2*5-3(6,7)1(11)2(12)4(8,9)10/h2-3,8-9,11-12H,4-7,10,22H2,1H3;1-2,5-6,8-9H,3-4,7,10,21H2,(H,22,26);1-2,7-8,10-11,22H,3-6,9,21H2;1-2,7-8,10-11H,3-6,9,21H2;;.

What are the key properties of 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;[6-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione)?

Where does this data come from?

All data for 4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-2-one;[6-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dichlorophenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione) is sourced from PubChem (CID 158441068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).