1-[4-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carbonyl]piperidin-1-yl]ethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone

C71H80Cl6N16O5 — CID 157395200

IUPAC1-[4-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carbonyl]piperidin-1-yl]ethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone
SMILESCC(=O)N1CCC(C(=O)N2CCN(c3cnc4cc(CN)c(-c5ccc(Cl)cc5Cl)cn34)CC2)CC1.COCC(=O)N1CCN(c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1.NCc1cc2ncc(N3CCN(C(=O)C4CCCC4)CC3)n2cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C26H30Cl2N6O2.C24H27Cl2N5O.C21H23Cl2N5O2/c1-17(35)31-6-4-18(5-7-31)26(36)33-10-8-32(9-11-33)25-15-30-24-12-19(14-29)22(16-34(24)25)21-3-2-20(27)13-23(21)28;25-18-5-6-19(21(26)12-18)20-15-31-22(11-17(20)13-27)28-14-23(31)29-7-9-30(10-8-29)24(32)16-3-1-2-4-16;1-30-13-21(29)27-6-4-26(5-7-27)20-11-25-19-8-14(10-24)17(12-28(19)20)16-3-2-15(22)9-18(16)23/h2-3,12-13,15-16,18H,4-11,14,29H2,1H3;5-6,11-12,14-16H,1-4,7-10,13,27H2;2-3,8-9,11-12H,4-7,10,13,24H2,1H3
InChIKeyBMMJNVJNIWWFLA-UHFFFAOYSA-N
MW1450.25 g/mol
LogP11.34
Rot. Bonds13

About 1-[4-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carbonyl]piperidin-1-yl]ethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone

1-[4-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carbonyl]piperidin-1-yl]ethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone (PubChem CID 157395200) has the molecular formula C71H80Cl6N16O5 and a molecular weight of 1450.25 g/mol. Its IUPAC name is 1-[4-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carbonyl]piperidin-1-yl]ethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carbonyl]piperidin-1-yl]ethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone
PubChem CID157395200
Molecular FormulaC71H80Cl6N16O5
Molecular Weight1450.25 g/mol
Exact Mass1446.46
IUPAC Name1-[4-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carbonyl]piperidin-1-yl]ethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone
SMILESCC(=O)N1CCC(C(=O)N2CCN(c3cnc4cc(CN)c(-c5ccc(Cl)cc5Cl)cn34)CC2)CC1.COCC(=O)N1CCN(c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1.NCc1cc2ncc(N3CCN(C(=O)C4CCCC4)CC3)n2cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C26H30Cl2N6O2.C24H27Cl2N5O.C21H23Cl2N5O2/c1-17(35)31-6-4-18(5-7-31)26(36)33-10-8-32(9-11-33)25-15-30-24-12-19(14-29)22(16-34(24)25)21-3-2-20(27)13-23(21)28;25-18-5-6-19(21(26)12-18)20-15-31-22(11-17(20)13-27)28-14-23(31)29-7-9-30(10-8-29)24(32)16-3-1-2-4-16;1-30-13-21(29)27-6-4-26(5-7-27)20-11-25-19-8-14(10-24)17(12-28(19)20)16-3-2-15(22)9-18(16)23/h2-3,12-13,15-16,18H,4-11,14,29H2,1H3;5-6,11-12,14-16H,1-4,7-10,13,27H2;2-3,8-9,11-12H,4-7,10,13,24H2,1H3
InChIKeyBMMJNVJNIWWFLA-UHFFFAOYSA-N
XLogP11.34
TPSA230.15 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001450.25
LogP ≤ 511.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 1-[4-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carbonyl]piperidin-1-yl]ethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carbonyl]piperidin-1-yl]ethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carbonyl]piperidin-1-yl]ethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone (CID 157395200) is 1-[4-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carbonyl]piperidin-1-yl]ethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carbonyl]piperidin-1-yl]ethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carbonyl]piperidin-1-yl]ethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone is CC(=O)N1CCC(C(=O)N2CCN(c3cnc4cc(CN)c(-c5ccc(Cl)cc5Cl)cn34)CC2)CC1.COCC(=O)N1CCN(c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1.NCc1cc2ncc(N3CCN(C(=O)C4CCCC4)CC3)n2cc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[4-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carbonyl]piperidin-1-yl]ethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone?
The InChIKey is BMMJNVJNIWWFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30Cl2N6O2.C24H27Cl2N5O.C21H23Cl2N5O2/c1-17(35)31-6-4-18(5-7-31)26(36)33-10-8-32(9-11-33)25-15-30-24-12-19(14-29)22(16-34(24)25)21-3-2-20(27)13-23(21)28;25-18-5-6-19(21(26)12-18)20-15-31-22(11-17(20)13-27)28-14-23(31)29-7-9-30(10-8-29)24(32)16-3-1-2-4-16;1-30-13-21(29)27-6-4-26(5-7-27)20-11-25-19-8-14(10-24)17(12-28(19)20)16-3-2-15(22)9-18(16)23/h2-3,12-13,15-16,18H,4-11,14,29H2,1H3;5-6,11-12,14-16H,1-4,7-10,13,27H2;2-3,8-9,11-12H,4-7,10,13,24H2,1H3.
What are the key properties of 1-[4-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carbonyl]piperidin-1-yl]ethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone?
1-[4-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carbonyl]piperidin-1-yl]ethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone has a molecular weight of 1450.25 g/mol, XLogP of 11.34, 13 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carbonyl]piperidin-1-yl]ethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopentylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 157395200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).