2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;butan-1-ol;tert-butyl N-[[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]methyl]carbamate;tert-butyl N-(pyrrolidin-3-ylmethyl)carbamate;[4-chloro-2-[7-(3-ethylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;4-chloropyridin-2-amine;hydrobromide

C65H94Br2Cl3N11O10 — CID 161283359

About 2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;butan-1-ol;tert-butyl N-[[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]methyl]carbamate;tert-butyl N-(pyrrolidin-3-ylmethyl)carbamate;[4-chloro-2-[7-(3-ethylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;4-chloropyridin-2-amine;hydrobromide

2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;butan-1-ol;tert-butyl N-[[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]methyl]carbamate;tert-butyl N-(pyrrolidin-3-ylmethyl)carbamate;[4-chloro-2-[7-(3-ethylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;4-chloropyridin-2-amine;hydrobromide (PubChem CID 161283359) has the molecular formula C65H94Br2Cl3N11O10 and a molecular weight of 1455.70 g/mol. Its IUPAC name is 2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;butan-1-ol;tert-butyl N-[[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]methyl]carbamate;tert-butyl N-(pyrrolidin-3-ylmethyl)carbamate;[4-chloro-2-[7-(3-ethylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;4-chloropyridin-2-amine;hydrobromide.

Molecular Properties

• Compound Name: 2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;butan-1-ol;tert-butyl N-[[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]methyl]carbamate;tert-butyl N-(pyrrolidin-3-ylmethyl)carbamate;[4-chloro-2-[7-(3-ethylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;4-chloropyridin-2-amine;hydrobromide
• PubChem CID: 161283359
• Molecular Formula: C65H94Br2Cl3N11O10
• Molecular Weight: 1455.70 g/mol
• Exact Mass: 1451.46
• IUPAC Name: 2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;butan-1-ol;tert-butyl N-[[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]methyl]carbamate;tert-butyl N-(pyrrolidin-3-ylmethyl)carbamate;[4-chloro-2-[7-(3-ethylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;4-chloropyridin-2-amine;hydrobromide
• SMILES: Br.CC(C)(C)OC(=O)NCC1CCN(c2ccnc(N)c2)C1.CC(C)(C)OC(=O)NCC1CCNC1.CCC1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4CO)nc3c2)C1.CCCCO.COc1cc(CO)c(Cl)cc1C(=O)CBr.Nc1cc(Cl)ccn1
• InChI: InChI=1S/C21H24ClN3O2.C15H24N4O2.C10H10BrClO3.C10H20N2O2.C5H5ClN2.C4H10O.BrH/c1-3-14-4-6-24(11-14)16-5-7-25-12-19(23-21(25)9-16)17-10-18(22)20(27-2)8-15(17)13-26;1-15(2,3)21-14(20)18-9-11-5-7-19(10-11)12-4-6-17-13(16)8-12;1-15-10-2-6(5-13)8(12)3-7(10)9(14)4-11;1-10(2,3)14-9(13)12-7-8-4-5-11-6-8;6-4-1-2-8-5(7)3-4;1-2-3-4-5;/h5,7-10,12,14,26H,3-4,6,11,13H2,1-2H3;4,6,8,11H,5,7,9-10H2,1-3H3,(H2,16,17)(H,18,20);2-3,13H,4-5H2,1H3;8,11H,4-7H2,1-3H3,(H,12,13);1-3H,(H2,7,8);5H,2-4H2,1H3;1H
• InChIKey: GSQVEDXKNYVPEW-UHFFFAOYSA-N
• XLogP: 12.62
• TPSA: 286.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1455.70
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;butan-1-ol;tert-butyl N-[[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]methyl]carbamate;tert-butyl N-(pyrrolidin-3-ylmethyl)carbamate;[4-chloro-2-[7-(3-ethylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;4-chloropyridin-2-amine;hydrobromide?

The IUPAC name of 2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;butan-1-ol;tert-butyl N-[[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]methyl]carbamate;tert-butyl N-(pyrrolidin-3-ylmethyl)carbamate;[4-chloro-2-[7-(3-ethylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;4-chloropyridin-2-amine;hydrobromide (CID 161283359) is 2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;butan-1-ol;tert-butyl N-[[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]methyl]carbamate;tert-butyl N-(pyrrolidin-3-ylmethyl)carbamate;[4-chloro-2-[7-(3-ethylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;4-chloropyridin-2-amine;hydrobromide.

What is the SMILES notation for 2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;butan-1-ol;tert-butyl N-[[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]methyl]carbamate;tert-butyl N-(pyrrolidin-3-ylmethyl)carbamate;[4-chloro-2-[7-(3-ethylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;4-chloropyridin-2-amine;hydrobromide?

The canonical SMILES for 2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;butan-1-ol;tert-butyl N-[[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]methyl]carbamate;tert-butyl N-(pyrrolidin-3-ylmethyl)carbamate;[4-chloro-2-[7-(3-ethylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;4-chloropyridin-2-amine;hydrobromide is Br.CC(C)(C)OC(=O)NCC1CCN(c2ccnc(N)c2)C1.CC(C)(C)OC(=O)NCC1CCNC1.CCC1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4CO)nc3c2)C1.CCCCO.COc1cc(CO)c(Cl)cc1C(=O)CBr.Nc1cc(Cl)ccn1.

What is the InChIKey of 2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;butan-1-ol;tert-butyl N-[[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]methyl]carbamate;tert-butyl N-(pyrrolidin-3-ylmethyl)carbamate;[4-chloro-2-[7-(3-ethylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;4-chloropyridin-2-amine;hydrobromide?

The InChIKey is GSQVEDXKNYVPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2.C15H24N4O2.C10H10BrClO3.C10H20N2O2.C5H5ClN2.C4H10O.BrH/c1-3-14-4-6-24(11-14)16-5-7-25-12-19(23-21(25)9-16)17-10-18(22)20(27-2)8-15(17)13-26;1-15(2,3)21-14(20)18-9-11-5-7-19(10-11)12-4-6-17-13(16)8-12;1-15-10-2-6(5-13)8(12)3-7(10)9(14)4-11;1-10(2,3)14-9(13)12-7-8-4-5-11-6-8;6-4-1-2-8-5(7)3-4;1-2-3-4-5;/h5,7-10,12,14,26H,3-4,6,11,13H2,1-2H3;4,6,8,11H,5,7,9-10H2,1-3H3,(H2,16,17)(H,18,20);2-3,13H,4-5H2,1H3;8,11H,4-7H2,1-3H3,(H,12,13);1-3H,(H2,7,8);5H,2-4H2,1H3;1H.

What are the key properties of 2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;butan-1-ol;tert-butyl N-[[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]methyl]carbamate;tert-butyl N-(pyrrolidin-3-ylmethyl)carbamate;[4-chloro-2-[7-(3-ethylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;4-chloropyridin-2-amine;hydrobromide?

2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;butan-1-ol;tert-butyl N-[[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]methyl]carbamate;tert-butyl N-(pyrrolidin-3-ylmethyl)carbamate;[4-chloro-2-[7-(3-ethylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;4-chloropyridin-2-amine;hydrobromide has a molecular weight of 1455.70 g/mol, XLogP of 12.62, 16 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-[5-chloro-4-(hydroxymethyl)-2-methoxyphenyl]ethanone;butan-1-ol;tert-butyl N-[[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]methyl]carbamate;tert-butyl N-(pyrrolidin-3-ylmethyl)carbamate;[4-chloro-2-[7-(3-ethylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol;4-chloropyridin-2-amine;hydrobromide is sourced from PubChem (CID 161283359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).