[2-[7-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;[4-chloro-5-methoxy-2-[7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine;pyridine-2-carboxylic acid

C90H97BrCl4N16O12 — CID 162153417

About [2-[7-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;[4-chloro-5-methoxy-2-[7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine;pyridine-2-carboxylic acid

[2-[7-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;[4-chloro-5-methoxy-2-[7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine;pyridine-2-carboxylic acid (PubChem CID 162153417) has the molecular formula C90H97BrCl4N16O12 and a molecular weight of 1816.58 g/mol. Its IUPAC name is [2-[7-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;[4-chloro-5-methoxy-2-[7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine;pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: [2-[7-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;[4-chloro-5-methoxy-2-[7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine;pyridine-2-carboxylic acid
• PubChem CID: 162153417
• Molecular Formula: C90H97BrCl4N16O12
• Molecular Weight: 1816.58 g/mol
• Exact Mass: 1812.54
• IUPAC Name: [2-[7-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;[4-chloro-5-methoxy-2-[7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine;pyridine-2-carboxylic acid
• SMILES: COc1cc(CO)c(-c2cn3ccc(N4CC[C@H](C)C4)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3ccc(N4CC[C@H](N)C4)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3ccc(N4CC[C@H](NC(=O)c5ccccn5)C4)cc3n2)cc1Cl.COc1cc(CO)c(Cl)cc1C(=O)CBr.C[C@H]1CCN(c2ccnc(N)c2)C1.O=C(O)c1ccccn1
• InChI: InChI=1S/C25H24ClN5O3.C20H22ClN3O2.C19H21ClN4O2.C10H10BrClO3.C10H15N3.C6H5NO2/c1-34-23-10-16(15-32)19(12-20(23)26)22-14-31-9-6-18(11-24(31)29-22)30-8-5-17(13-30)28-25(33)21-4-2-3-7-27-21;1-13-3-5-23(10-13)15-4-6-24-11-18(22-20(24)8-15)16-9-17(21)19(26-2)7-14(16)12-25;1-26-18-6-12(11-25)15(8-16(18)20)17-10-24-5-3-14(7-19(24)22-17)23-4-2-13(21)9-23;1-15-10-2-6(5-13)8(12)3-7(10)9(14)4-11;1-8-3-5-13(7-8)9-2-4-12-10(11)6-9;8-6(9)5-3-1-2-4-7-5/h2-4,6-7,9-12,14,17,32H,5,8,13,15H2,1H3,(H,28,33);4,6-9,11,13,25H,3,5,10,12H2,1-2H3;3,5-8,10,13,25H,2,4,9,11,21H2,1H3;2-3,13H,4-5H2,1H3;2,4,6,8H,3,5,7H2,1H3,(H2,11,12);1-4H,(H,8,9)/t17-;2*13-;;8-;/m000.0./s1
• InChIKey: ZLMYRURQWAKSPV-XVZFKGAZSA-N
• XLogP: 14.96
• TPSA: 356.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1816.58
LogP ≤ 5	14.96
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[7-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;[4-chloro-5-methoxy-2-[7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine;pyridine-2-carboxylic acid?

The IUPAC name of [2-[7-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;[4-chloro-5-methoxy-2-[7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine;pyridine-2-carboxylic acid (CID 162153417) is [2-[7-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;[4-chloro-5-methoxy-2-[7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine;pyridine-2-carboxylic acid.

What is the SMILES notation for [2-[7-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;[4-chloro-5-methoxy-2-[7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine;pyridine-2-carboxylic acid?

The canonical SMILES for [2-[7-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;[4-chloro-5-methoxy-2-[7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine;pyridine-2-carboxylic acid is COc1cc(CO)c(-c2cn3ccc(N4CC[C@H](C)C4)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3ccc(N4CC[C@H](N)C4)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3ccc(N4CC[C@H](NC(=O)c5ccccn5)C4)cc3n2)cc1Cl.COc1cc(CO)c(Cl)cc1C(=O)CBr.C[C@H]1CCN(c2ccnc(N)c2)C1.O=C(O)c1ccccn1.

What is the InChIKey of [2-[7-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;[4-chloro-5-methoxy-2-[7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine;pyridine-2-carboxylic acid?

The InChIKey is ZLMYRURQWAKSPV-XVZFKGAZSA-N. The full InChI is InChI=1S/C25H24ClN5O3.C20H22ClN3O2.C19H21ClN4O2.C10H10BrClO3.C10H15N3.C6H5NO2/c1-34-23-10-16(15-32)19(12-20(23)26)22-14-31-9-6-18(11-24(31)29-22)30-8-5-17(13-30)28-25(33)21-4-2-3-7-27-21;1-13-3-5-23(10-13)15-4-6-24-11-18(22-20(24)8-15)16-9-17(21)19(26-2)7-14(16)12-25;1-26-18-6-12(11-25)15(8-16(18)20)17-10-24-5-3-14(7-19(24)22-17)23-4-2-13(21)9-23;1-15-10-2-6(5-13)8(12)3-7(10)9(14)4-11;1-8-3-5-13(7-8)9-2-4-12-10(11)6-9;8-6(9)5-3-1-2-4-7-5/h2-4,6-7,9-12,14,17,32H,5,8,13,15H2,1H3,(H,28,33);4,6-9,11,13,25H,3,5,10,12H2,1-2H3;3,5-8,10,13,25H,2,4,9,11,21H2,1H3;2-3,13H,4-5H2,1H3;2,4,6,8H,3,5,7H2,1H3,(H2,11,12);1-4H,(H,8,9)/t17-;2*13-;;8-;/m000.0./s1.

What are the key properties of [2-[7-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;[4-chloro-5-methoxy-2-[7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine;pyridine-2-carboxylic acid?

[2-[7-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;[4-chloro-5-methoxy-2-[7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine;pyridine-2-carboxylic acid has a molecular weight of 1816.58 g/mol, XLogP of 14.96, 20 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[7-[(3S)-3-aminopyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]-4-chloro-5-methoxyphenyl]methanol;2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;N-[(3S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]pyridine-2-carboxamide;[4-chloro-5-methoxy-2-[7-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-[(3S)-3-methylpyrrolidin-1-yl]pyridin-2-amine;pyridine-2-carboxylic acid is sourced from PubChem (CID 162153417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).