4-(4-bromo-1-methylpyrazol-3-yl)-2,6-dimethylpyridine;7-bromo-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[3-(2,6-dimethyl-4-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C52H52Br2N16 — CID 157362457

IUPAC4-(4-bromo-1-methylpyrazol-3-yl)-2,6-dimethylpyridine;7-bromo-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[3-(2,6-dimethyl-4-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(Br)cc3n2)c1.Cc1cc(-c2nn(C)cc2-c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)cc(C)n1.Cc1cc(-c2nn(C)cc2Br)cc(C)n1
InChIInChI=1S/C26H26N8.C15H14BrN5.C11H12BrN3/c1-15(2)19-11-25(32-28-13-19)31-24-7-6-22-23(30-24)10-20(12-27-22)21-14-34(5)33-26(21)18-8-16(3)29-17(4)9-18;1-9(2)10-5-15(21-18-7-10)20-14-4-3-12-13(19-14)6-11(16)8-17-12;1-7-4-9(5-8(2)13-7)11-10(12)6-15(3)14-11/h6-15H,1-5H3,(H,30,31,32);3-9H,1-2H3,(H,19,20,21);4-6H,1-3H3
InChIKeyBIUIJJGTDGXKEO-UHFFFAOYSA-N
MW1060.91 g/mol
LogP12.28
Rot. Bonds9

About 4-(4-bromo-1-methylpyrazol-3-yl)-2,6-dimethylpyridine;7-bromo-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[3-(2,6-dimethyl-4-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

4-(4-bromo-1-methylpyrazol-3-yl)-2,6-dimethylpyridine;7-bromo-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[3-(2,6-dimethyl-4-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 157362457) has the molecular formula C52H52Br2N16 and a molecular weight of 1060.91 g/mol. Its IUPAC name is 4-(4-bromo-1-methylpyrazol-3-yl)-2,6-dimethylpyridine;7-bromo-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[3-(2,6-dimethyl-4-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-1-methylpyrazol-3-yl)-2,6-dimethylpyridine;7-bromo-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[3-(2,6-dimethyl-4-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID157362457
Molecular FormulaC52H52Br2N16
Molecular Weight1060.91 g/mol
Exact Mass1058.29
IUPAC Name4-(4-bromo-1-methylpyrazol-3-yl)-2,6-dimethylpyridine;7-bromo-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[3-(2,6-dimethyl-4-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(Br)cc3n2)c1.Cc1cc(-c2nn(C)cc2-c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)cc(C)n1.Cc1cc(-c2nn(C)cc2Br)cc(C)n1
InChIInChI=1S/C26H26N8.C15H14BrN5.C11H12BrN3/c1-15(2)19-11-25(32-28-13-19)31-24-7-6-22-23(30-24)10-20(12-27-22)21-14-34(5)33-26(21)18-8-16(3)29-17(4)9-18;1-9(2)10-5-15(21-18-7-10)20-14-4-3-12-13(19-14)6-11(16)8-17-12;1-7-4-9(5-8(2)13-7)11-10(12)6-15(3)14-11/h6-15H,1-5H3,(H,30,31,32);3-9H,1-2H3,(H,19,20,21);4-6H,1-3H3
InChIKeyBIUIJJGTDGXKEO-UHFFFAOYSA-N
XLogP12.28
TPSA188.60 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001060.91
LogP ≤ 512.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 4-(4-bromo-1-methylpyrazol-3-yl)-2,6-dimethylpyridine;7-bromo-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[3-(2,6-dimethyl-4-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

7-(1-methylpyrazol-4-yl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 68309299
8-[6-[6-(6-Methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,8-diazaspiro[4.5]decane
CID 72714387
6-(6-Methylpyrazin-2-yl)-1-[6-(4-piperidyl)-2-pyridyl]pyrazolo[4,3-c]pyridine
CID 72715457
3-(4-Ethylpyridin-3-yl)-N6-(1-piperidin-4-yl-1H-pyrazol-4-yl)-[2,7]naphthyridine-1,6-diamine
CID 135345232
4-(3-bromophenyl)-N-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propyl)pyridazino[4,5-b]indolizin-1-amine
CID 46884095
6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-N-(1-methylpyrazol-4-yl)-4-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145976205
3-(4-Ethylpyridin-3-yl)-N6-(1-methyl-1H-pyrazol-4-yl)-[2,7]naphthyridine-1,6-diamine
CID 135344997
US10544143, Example 64
CID 138686217
US10544143, Example 60
CID 138686625
US10544143, Example 74
CID 138686963
[5-(5-Fluoro-pyridin-3-yl)-2-methyl-[1,7]naphthyridin-8-yl]-(1-methyl-1H-pyrazol-3-yl)-amine
CID 16117186
[5-(3-Fluoro-phenyl)-2-methyl-[1,7]naphthyridin-8-yl]-(1-methyl-1H-pyrazol-3-yl)-amine
CID 16117453

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1-methylpyrazol-3-yl)-2,6-dimethylpyridine;7-bromo-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[3-(2,6-dimethyl-4-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 4-(4-bromo-1-methylpyrazol-3-yl)-2,6-dimethylpyridine;7-bromo-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[3-(2,6-dimethyl-4-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 157362457) is 4-(4-bromo-1-methylpyrazol-3-yl)-2,6-dimethylpyridine;7-bromo-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[3-(2,6-dimethyl-4-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 4-(4-bromo-1-methylpyrazol-3-yl)-2,6-dimethylpyridine;7-bromo-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[3-(2,6-dimethyl-4-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 4-(4-bromo-1-methylpyrazol-3-yl)-2,6-dimethylpyridine;7-bromo-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[3-(2,6-dimethyl-4-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(Br)cc3n2)c1.Cc1cc(-c2nn(C)cc2-c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)cc(C)n1.Cc1cc(-c2nn(C)cc2Br)cc(C)n1.
What is the InChIKey of 4-(4-bromo-1-methylpyrazol-3-yl)-2,6-dimethylpyridine;7-bromo-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[3-(2,6-dimethyl-4-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is BIUIJJGTDGXKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8.C15H14BrN5.C11H12BrN3/c1-15(2)19-11-25(32-28-13-19)31-24-7-6-22-23(30-24)10-20(12-27-22)21-14-34(5)33-26(21)18-8-16(3)29-17(4)9-18;1-9(2)10-5-15(21-18-7-10)20-14-4-3-12-13(19-14)6-11(16)8-17-12;1-7-4-9(5-8(2)13-7)11-10(12)6-15(3)14-11/h6-15H,1-5H3,(H,30,31,32);3-9H,1-2H3,(H,19,20,21);4-6H,1-3H3.
What are the key properties of 4-(4-bromo-1-methylpyrazol-3-yl)-2,6-dimethylpyridine;7-bromo-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[3-(2,6-dimethyl-4-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
4-(4-bromo-1-methylpyrazol-3-yl)-2,6-dimethylpyridine;7-bromo-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[3-(2,6-dimethyl-4-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 1060.91 g/mol, XLogP of 12.28, 9 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1-methylpyrazol-3-yl)-2,6-dimethylpyridine;7-bromo-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[3-(2,6-dimethyl-4-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 157362457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).