2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C69H71Cl6N17O6 — CID 159742672

IUPAC2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC(C)O1.NCc1cc2ncc(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(C(=O)N3CCN(c4cnccn4)CC3)n2cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H28Cl2N6O3.C23H21Cl2N7O.C21H22Cl2N4O2/c26-18-1-2-19(21(27)12-18)20-15-33-22(14-29-23(33)11-17(20)13-28)25(35)32-5-3-30(4-6-32)16-24(34)31-7-9-36-10-8-31;24-16-1-2-17(19(25)10-16)18-14-32-20(12-29-21(32)9-15(18)11-26)23(33)31-7-5-30(6-8-31)22-13-27-3-4-28-22;1-12-9-26(10-13(2)29-12)21(28)19-8-25-20-5-14(7-24)17(11-27(19)20)16-4-3-15(22)6-18(16)23/h1-2,11-12,14-15H,3-10,13,16,28H2;1-4,9-10,12-14H,5-8,11,26H2;3-6,8,11-13H,7,9-10,24H2,1-2H3
InChIKeyNCQRVCPFCJWPHW-UHFFFAOYSA-N
MW1447.16 g/mol
LogP9.92
Rot. Bonds12

About 2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 159742672) has the molecular formula C69H71Cl6N17O6 and a molecular weight of 1447.16 g/mol. Its IUPAC name is 2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID159742672
Molecular FormulaC69H71Cl6N17O6
Molecular Weight1447.16 g/mol
Exact Mass1443.39
IUPAC Name2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC(C)O1.NCc1cc2ncc(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(C(=O)N3CCN(c4cnccn4)CC3)n2cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H28Cl2N6O3.C23H21Cl2N7O.C21H22Cl2N4O2/c26-18-1-2-19(21(27)12-18)20-15-33-22(14-29-23(33)11-17(20)13-28)25(35)32-5-3-30(4-6-32)16-24(34)31-7-9-36-10-8-31;24-16-1-2-17(19(25)10-16)18-14-32-20(12-29-21(32)9-15(18)11-26)23(33)31-7-5-30(6-8-31)22-13-27-3-4-28-22;1-12-9-26(10-13(2)29-12)21(28)19-8-25-20-5-14(7-24)17(11-27(19)20)16-4-3-15(22)6-18(16)23/h1-2,11-12,14-15H,3-10,13,16,28H2;1-4,9-10,12-14H,5-8,11,26H2;3-6,8,11-13H,7,9-10,24H2,1-2H3
InChIKeyNCQRVCPFCJWPHW-UHFFFAOYSA-N
XLogP9.92
TPSA261.92 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms98
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001447.16
LogP ≤ 59.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of 2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 159742672) is 2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for 2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC(C)O1.NCc1cc2ncc(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(C(=O)N3CCN(c4cnccn4)CC3)n2cc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is NCQRVCPFCJWPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N6O3.C23H21Cl2N7O.C21H22Cl2N4O2/c26-18-1-2-19(21(27)12-18)20-15-33-22(14-29-23(33)11-17(20)13-28)25(35)32-5-3-30(4-6-32)16-24(34)31-7-9-36-10-8-31;24-16-1-2-17(19(25)10-16)18-14-32-20(12-29-21(32)9-15(18)11-26)23(33)31-7-5-30(6-8-31)22-13-27-3-4-28-22;1-12-9-26(10-13(2)29-12)21(28)19-8-25-20-5-14(7-24)17(11-27(19)20)16-4-3-15(22)6-18(16)23/h1-2,11-12,14-15H,3-10,13,16,28H2;1-4,9-10,12-14H,5-8,11,26H2;3-6,8,11-13H,7,9-10,24H2,1-2H3.
What are the key properties of 2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 1447.16 g/mol, XLogP of 9.92, 12 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 159742672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).