2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;N-tert-butyl-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;1,1-dichloroethane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]acetamide

C69H82BBrCl2N18O3 — CID 160925295

IUPAC2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;N-tert-butyl-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;1,1-dichloroethane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCC(=O)Nc1cnc2ccc(-c3cn(C)nc3-c3cccc(C)n3)cn12.CC(C)(C)Nc1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12.CC(Cl)Cl.Cc1cccc(-c2nn(C)cc2-c2ccc3ncc(NC(C)(C)C)n3c2)n1.Cc1cccc(-c2nn(C)cc2Br)n1
InChIInChI=1S/C21H24N6.C19H18N6O.C17H26BN3O2.C10H10BrN3.C2H4Cl2/c1-14-7-6-8-17(23-14)20-16(13-26(5)25-20)15-9-10-18-22-11-19(27(18)12-15)24-21(2,3)4;1-12-5-4-6-16(21-12)19-15(11-24(3)23-19)14-7-8-17-20-9-18(22-13(2)26)25(17)10-14;1-15(2,3)20-14-10-19-13-9-8-12(11-21(13)14)18-22-16(4,5)17(6,7)23-18;1-7-4-3-5-9(12-7)10-8(11)6-14(2)13-10;1-2(3)4/h6-13,24H,1-5H3;4-11H,1-3H3,(H,22,26);8-11,20H,1-7H3;3-6H,1-2H3;2H,1H3
InChIKeySSOCVAWWXCDPBQ-UHFFFAOYSA-N
MW1373.16 g/mol
LogP14.59
Rot. Bonds9

About 2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;N-tert-butyl-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;1,1-dichloroethane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]acetamide

2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;N-tert-butyl-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;1,1-dichloroethane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]acetamide (PubChem CID 160925295) has the molecular formula C69H82BBrCl2N18O3 and a molecular weight of 1373.16 g/mol. Its IUPAC name is 2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;N-tert-butyl-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;1,1-dichloroethane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;N-tert-butyl-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;1,1-dichloroethane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]acetamide
PubChem CID160925295
Molecular FormulaC69H82BBrCl2N18O3
Molecular Weight1373.16 g/mol
Exact Mass1370.55
IUPAC Name2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;N-tert-butyl-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;1,1-dichloroethane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCC(=O)Nc1cnc2ccc(-c3cn(C)nc3-c3cccc(C)n3)cn12.CC(C)(C)Nc1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12.CC(Cl)Cl.Cc1cccc(-c2nn(C)cc2-c2ccc3ncc(NC(C)(C)C)n3c2)n1.Cc1cccc(-c2nn(C)cc2Br)n1
InChIInChI=1S/C21H24N6.C19H18N6O.C17H26BN3O2.C10H10BrN3.C2H4Cl2/c1-14-7-6-8-17(23-14)20-16(13-26(5)25-20)15-9-10-18-22-11-19(27(18)12-15)24-21(2,3)4;1-12-5-4-6-16(21-12)19-15(11-24(3)23-19)14-7-8-17-20-9-18(22-13(2)26)25(17)10-14;1-15(2,3)20-14-10-19-13-9-8-12(11-21(13)14)18-22-16(4,5)17(6,7)23-18;1-7-4-3-5-9(12-7)10-8(11)6-14(2)13-10;1-2(3)4/h6-13,24H,1-5H3;4-11H,1-3H3,(H,22,26);8-11,20H,1-7H3;3-6H,1-2H3;2H,1H3
InChIKeySSOCVAWWXCDPBQ-UHFFFAOYSA-N
XLogP14.59
TPSA215.65 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms94
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001373.16
LogP ≤ 514.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;N-tert-butyl-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;1,1-dichloroethane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]acetamide?
The IUPAC name of 2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;N-tert-butyl-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;1,1-dichloroethane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]acetamide (CID 160925295) is 2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;N-tert-butyl-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;1,1-dichloroethane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]acetamide.
What is the SMILES notation for 2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;N-tert-butyl-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;1,1-dichloroethane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]acetamide?
The canonical SMILES for 2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;N-tert-butyl-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;1,1-dichloroethane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]acetamide is CC(=O)Nc1cnc2ccc(-c3cn(C)nc3-c3cccc(C)n3)cn12.CC(C)(C)Nc1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12.CC(Cl)Cl.Cc1cccc(-c2nn(C)cc2-c2ccc3ncc(NC(C)(C)C)n3c2)n1.Cc1cccc(-c2nn(C)cc2Br)n1.
What is the InChIKey of 2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;N-tert-butyl-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;1,1-dichloroethane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]acetamide?
The InChIKey is SSOCVAWWXCDPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6.C19H18N6O.C17H26BN3O2.C10H10BrN3.C2H4Cl2/c1-14-7-6-8-17(23-14)20-16(13-26(5)25-20)15-9-10-18-22-11-19(27(18)12-15)24-21(2,3)4;1-12-5-4-6-16(21-12)19-15(11-24(3)23-19)14-7-8-17-20-9-18(22-13(2)26)25(17)10-14;1-15(2,3)20-14-10-19-13-9-8-12(11-21(13)14)18-22-16(4,5)17(6,7)23-18;1-7-4-3-5-9(12-7)10-8(11)6-14(2)13-10;1-2(3)4/h6-13,24H,1-5H3;4-11H,1-3H3,(H,22,26);8-11,20H,1-7H3;3-6H,1-2H3;2H,1H3.
What are the key properties of 2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;N-tert-butyl-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;1,1-dichloroethane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]acetamide?
2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;N-tert-butyl-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;1,1-dichloroethane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]acetamide has a molecular weight of 1373.16 g/mol, XLogP of 14.59, 9 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;N-tert-butyl-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-amine;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-3-amine;1,1-dichloroethane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]acetamide is sourced from PubChem (CID 160925295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).