[2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;tert-butyl 2-[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetate;tert-butyl N-piperidin-4-ylcarbamate;[4-chloro-5-methoxy-2-[7-[4-(pyrimidin-4-ylmethyl)piperidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-methylpyrimidine

C101H119BrCl4N18O12 — CID 159216645

About [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;tert-butyl 2-[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetate;tert-butyl N-piperidin-4-ylcarbamate;[4-chloro-5-methoxy-2-[7-[4-(pyrimidin-4-ylmethyl)piperidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-methylpyrimidine

[2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;tert-butyl 2-[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetate;tert-butyl N-piperidin-4-ylcarbamate;[4-chloro-5-methoxy-2-[7-[4-(pyrimidin-4-ylmethyl)piperidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-methylpyrimidine (PubChem CID 159216645) has the molecular formula C101H119BrCl4N18O12 and a molecular weight of 1998.89 g/mol. Its IUPAC name is [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;tert-butyl 2-[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetate;tert-butyl N-piperidin-4-ylcarbamate;[4-chloro-5-methoxy-2-[7-[4-(pyrimidin-4-ylmethyl)piperidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-methylpyrimidine.

Molecular Properties

• Compound Name: [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;tert-butyl 2-[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetate;tert-butyl N-piperidin-4-ylcarbamate;[4-chloro-5-methoxy-2-[7-[4-(pyrimidin-4-ylmethyl)piperidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-methylpyrimidine
• PubChem CID: 159216645
• Molecular Formula: C101H119BrCl4N18O12
• Molecular Weight: 1998.89 g/mol
• Exact Mass: 1994.72
• IUPAC Name: [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;tert-butyl 2-[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetate;tert-butyl N-piperidin-4-ylcarbamate;[4-chloro-5-methoxy-2-[7-[4-(pyrimidin-4-ylmethyl)piperidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-methylpyrimidine
• SMILES: CC(C)(C)OC(=O)NC1CCNCC1.COc1cc(CO)c(-c2cn3ccc(Br)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3ccc(N4CCC(CC(=O)OC(C)(C)C)CC4)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3ccc(N4CCC(Cc5ccncn5)CC4)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3ccc(N4CCC(N)CC4)cc3n2)cc1Cl.Cc1ccncn1
• InChI: InChI=1S/C26H32ClN3O4.C25H26ClN5O2.C20H23ClN4O2.C15H12BrClN2O2.C10H20N2O2.C5H6N2/c1-26(2,3)34-25(32)11-17-5-8-29(9-6-17)19-7-10-30-15-22(28-24(30)13-19)20-14-21(27)23(33-4)12-18(20)16-31;1-33-24-11-18(15-32)21(13-22(24)26)23-14-31-9-5-20(12-25(31)29-23)30-7-3-17(4-8-30)10-19-2-6-27-16-28-19;1-27-19-8-13(12-26)16(10-17(19)21)18-11-25-7-4-15(9-20(25)23-18)24-5-2-14(22)3-6-24;1-21-14-4-9(8-20)11(6-12(14)17)13-7-19-3-2-10(16)5-15(19)18-13;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;1-5-2-3-6-4-7-5/h7,10,12-15,17,31H,5-6,8-9,11,16H2,1-4H3;2,5-6,9,11-14,16-17,32H,3-4,7-8,10,15H2,1H3;4,7-11,14,26H,2-3,5-6,12,22H2,1H3;2-7,20H,8H2,1H3;8,11H,4-7H2,1-3H3,(H,12,13);2-4H,1H3
• InChIKey: KRDSWRMNZOCHDJ-UHFFFAOYSA-N
• XLogP: 18.56
• TPSA: 351.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1998.89
LogP ≤ 5	18.56
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;tert-butyl 2-[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetate;tert-butyl N-piperidin-4-ylcarbamate;[4-chloro-5-methoxy-2-[7-[4-(pyrimidin-4-ylmethyl)piperidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-methylpyrimidine?

The IUPAC name of [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;tert-butyl 2-[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetate;tert-butyl N-piperidin-4-ylcarbamate;[4-chloro-5-methoxy-2-[7-[4-(pyrimidin-4-ylmethyl)piperidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-methylpyrimidine (CID 159216645) is [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;tert-butyl 2-[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetate;tert-butyl N-piperidin-4-ylcarbamate;[4-chloro-5-methoxy-2-[7-[4-(pyrimidin-4-ylmethyl)piperidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-methylpyrimidine.

What is the SMILES notation for [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;tert-butyl 2-[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetate;tert-butyl N-piperidin-4-ylcarbamate;[4-chloro-5-methoxy-2-[7-[4-(pyrimidin-4-ylmethyl)piperidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-methylpyrimidine?

The canonical SMILES for [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;tert-butyl 2-[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetate;tert-butyl N-piperidin-4-ylcarbamate;[4-chloro-5-methoxy-2-[7-[4-(pyrimidin-4-ylmethyl)piperidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-methylpyrimidine is CC(C)(C)OC(=O)NC1CCNCC1.COc1cc(CO)c(-c2cn3ccc(Br)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3ccc(N4CCC(CC(=O)OC(C)(C)C)CC4)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3ccc(N4CCC(Cc5ccncn5)CC4)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3ccc(N4CCC(N)CC4)cc3n2)cc1Cl.Cc1ccncn1.

What is the InChIKey of [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;tert-butyl 2-[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetate;tert-butyl N-piperidin-4-ylcarbamate;[4-chloro-5-methoxy-2-[7-[4-(pyrimidin-4-ylmethyl)piperidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-methylpyrimidine?

The InChIKey is KRDSWRMNZOCHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O4.C25H26ClN5O2.C20H23ClN4O2.C15H12BrClN2O2.C10H20N2O2.C5H6N2/c1-26(2,3)34-25(32)11-17-5-8-29(9-6-17)19-7-10-30-15-22(28-24(30)13-19)20-14-21(27)23(33-4)12-18(20)16-31;1-33-24-11-18(15-32)21(13-22(24)26)23-14-31-9-5-20(12-25(31)29-23)30-7-3-17(4-8-30)10-19-2-6-27-16-28-19;1-27-19-8-13(12-26)16(10-17(19)21)18-11-25-7-4-15(9-20(25)23-18)24-5-2-14(22)3-6-24;1-21-14-4-9(8-20)11(6-12(14)17)13-7-19-3-2-10(16)5-15(19)18-13;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;1-5-2-3-6-4-7-5/h7,10,12-15,17,31H,5-6,8-9,11,16H2,1-4H3;2,5-6,9,11-14,16-17,32H,3-4,7-8,10,15H2,1H3;4,7-11,14,26H,2-3,5-6,12,22H2,1H3;2-7,20H,8H2,1H3;8,11H,4-7H2,1-3H3,(H,12,13);2-4H,1H3.

What are the key properties of [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;tert-butyl 2-[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetate;tert-butyl N-piperidin-4-ylcarbamate;[4-chloro-5-methoxy-2-[7-[4-(pyrimidin-4-ylmethyl)piperidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-methylpyrimidine?

[2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;tert-butyl 2-[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetate;tert-butyl N-piperidin-4-ylcarbamate;[4-chloro-5-methoxy-2-[7-[4-(pyrimidin-4-ylmethyl)piperidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-methylpyrimidine has a molecular weight of 1998.89 g/mol, XLogP of 18.56, 20 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[7-(4-aminopiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;[2-(7-bromoimidazo[1,2-a]pyridin-2-yl)-4-chloro-5-methoxyphenyl]methanol;tert-butyl 2-[1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]acetate;tert-butyl N-piperidin-4-ylcarbamate;[4-chloro-5-methoxy-2-[7-[4-(pyrimidin-4-ylmethyl)piperidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-methylpyrimidine is sourced from PubChem (CID 159216645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).