8-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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

C68H71Cl6N15O8 — CID 158619018

IUPAC8-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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
SMILESCC1CN(C(=O)c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC(C)O1.NCc1cc2ncc(C(=O)N3CCC4(CC3)CNC(=O)O4)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)n2cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H28Cl2N6O3.C22H21Cl2N5O3.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;23-14-1-2-15(17(24)8-14)16-11-29-18(10-26-19(29)7-13(16)9-25)20(30)28-5-3-22(4-6-28)12-27-21(31)32-22;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;1-2,7-8,10-11H,3-6,9,12,25H2,(H,27,31);3-6,8,11-13H,7,9-10,24H2,1-2H3
InChIKeyHXTLMOOSOAOCFW-UHFFFAOYSA-N
MW1439.13 g/mol
LogP9.88
Rot. Bonds11

About 8-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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

8-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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 (PubChem CID 158619018) has the molecular formula C68H71Cl6N15O8 and a molecular weight of 1439.13 g/mol. Its IUPAC name is 8-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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.

Molecular Properties

Compound Name8-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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
PubChem CID158619018
Molecular FormulaC68H71Cl6N15O8
Molecular Weight1439.13 g/mol
Exact Mass1435.37
IUPAC Name8-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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
SMILESCC1CN(C(=O)c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC(C)O1.NCc1cc2ncc(C(=O)N3CCC4(CC3)CNC(=O)O4)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)n2cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H28Cl2N6O3.C22H21Cl2N5O3.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;23-14-1-2-15(17(24)8-14)16-11-29-18(10-26-19(29)7-13(16)9-25)20(30)28-5-3-22(4-6-28)12-27-21(31)32-22;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;1-2,7-8,10-11H,3-6,9,12,25H2,(H,27,31);3-6,8,11-13H,7,9-10,24H2,1-2H3
InChIKeyHXTLMOOSOAOCFW-UHFFFAOYSA-N
XLogP9.88
TPSA271.23 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms97
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001439.13
LogP ≤ 59.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 8-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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?
The IUPAC name of 8-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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 (CID 158619018) is 8-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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.
What is the SMILES notation for 8-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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?
The canonical SMILES for 8-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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 is CC1CN(C(=O)c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC(C)O1.NCc1cc2ncc(C(=O)N3CCC4(CC3)CNC(=O)O4)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)n2cc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 8-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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?
The InChIKey is HXTLMOOSOAOCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N6O3.C22H21Cl2N5O3.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;23-14-1-2-15(17(24)8-14)16-11-29-18(10-26-19(29)7-13(16)9-25)20(30)28-5-3-22(4-6-28)12-27-21(31)32-22;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;1-2,7-8,10-11H,3-6,9,12,25H2,(H,27,31);3-6,8,11-13H,7,9-10,24H2,1-2H3.
What are the key properties of 8-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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?
8-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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 has a molecular weight of 1439.13 g/mol, XLogP of 9.88, 11 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;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 is sourced from PubChem (CID 158619018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).