acetic acid;[2-[7-(4-aminocyclohexyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;azane;4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one;methane

C45H56Cl2N6O7 — CID 159915074

About acetic acid;[2-[7-(4-aminocyclohexyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;azane;4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one;methane

acetic acid;[2-[7-(4-aminocyclohexyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;azane;4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one;methane (PubChem CID 159915074) has the molecular formula C45H56Cl2N6O7 and a molecular weight of 863.88 g/mol. Its IUPAC name is acetic acid;[2-[7-(4-aminocyclohexyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;azane;4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one;methane.

Molecular Properties

• Compound Name: acetic acid;[2-[7-(4-aminocyclohexyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;azane;4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one;methane
• PubChem CID: 159915074
• Molecular Formula: C45H56Cl2N6O7
• Molecular Weight: 863.88 g/mol
• Exact Mass: 862.36
• IUPAC Name: acetic acid;[2-[7-(4-aminocyclohexyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;azane;4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one;methane
• SMILES: C.CC(=O)O.COc1cc(CO)c(-c2cn3ccc(C4CCC(=O)CC4)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3ccc(C4CCC(N)CC4)cc3n2)cc1Cl.N
• InChI: InChI=1S/C21H24ClN3O2.C21H21ClN2O3.C2H4O2.CH4.H3N/c1-27-20-8-15(12-26)17(10-18(20)22)19-11-25-7-6-14(9-21(25)24-19)13-2-4-16(23)5-3-13;1-27-20-8-15(12-25)17(10-18(20)22)19-11-24-7-6-14(9-21(24)23-19)13-2-4-16(26)5-3-13;1-2(3)4;;/h6-11,13,16,26H,2-5,12,23H2,1H3;6-11,13,25H,2-5,12H2,1H3;1H3,(H,3,4);1H4;1H3
• InChIKey: YKFKRFGJNRGGHY-UHFFFAOYSA-N
• XLogP: 9.41
• TPSA: 208.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	863.88
LogP ≤ 5	9.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of acetic acid;[2-[7-(4-aminocyclohexyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;azane;4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one;methane?

The IUPAC name of acetic acid;[2-[7-(4-aminocyclohexyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;azane;4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one;methane (CID 159915074) is acetic acid;[2-[7-(4-aminocyclohexyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;azane;4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one;methane.

What is the SMILES notation for acetic acid;[2-[7-(4-aminocyclohexyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;azane;4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one;methane?

The canonical SMILES for acetic acid;[2-[7-(4-aminocyclohexyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;azane;4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one;methane is C.CC(=O)O.COc1cc(CO)c(-c2cn3ccc(C4CCC(=O)CC4)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3ccc(C4CCC(N)CC4)cc3n2)cc1Cl.N.

What is the InChIKey of acetic acid;[2-[7-(4-aminocyclohexyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;azane;4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one;methane?

The InChIKey is YKFKRFGJNRGGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2.C21H21ClN2O3.C2H4O2.CH4.H3N/c1-27-20-8-15(12-26)17(10-18(20)22)19-11-25-7-6-14(9-21(25)24-19)13-2-4-16(23)5-3-13;1-27-20-8-15(12-25)17(10-18(20)22)19-11-24-7-6-14(9-21(24)23-19)13-2-4-16(26)5-3-13;1-2(3)4;;/h6-11,13,16,26H,2-5,12,23H2,1H3;6-11,13,25H,2-5,12H2,1H3;1H3,(H,3,4);1H4;1H3.

What are the key properties of acetic acid;[2-[7-(4-aminocyclohexyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;azane;4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one;methane?

acetic acid;[2-[7-(4-aminocyclohexyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;azane;4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one;methane has a molecular weight of 863.88 g/mol, XLogP of 9.41, 8 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;[2-[7-(4-aminocyclohexyl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;azane;4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one;methane is sourced from PubChem (CID 159915074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).