4-methyl-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine

C27H30N4 — CID 71240558

IUPAC4-methyl-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)ccc4[nH]ncc34)cc(C)c2C1
InChIInChI=1S/C27H30N4/c1-16(2)20-8-6-17(3)26(13-20)31-11-10-23-22(15-31)19(5)12-25(29-23)27-18(4)7-9-24-21(27)14-28-30-24/h6-9,12-14,16H,10-11,15H2,1-5H3,(H,28,30)
InChIKeyJMJCCEXIFUOKLB-UHFFFAOYSA-N
MW410.57 g/mol
LogP6.24
Rot. Bonds3

About 4-methyl-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine

4-methyl-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 71240558) has the molecular formula C27H30N4 and a molecular weight of 410.57 g/mol. Its IUPAC name is 4-methyl-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name4-methyl-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID71240558
Molecular FormulaC27H30N4
Molecular Weight410.57 g/mol
Exact Mass410.25
IUPAC Name4-methyl-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)ccc4[nH]ncc34)cc(C)c2C1
InChIInChI=1S/C27H30N4/c1-16(2)20-8-6-17(3)26(13-20)31-11-10-23-22(15-31)19(5)12-25(29-23)27-18(4)7-9-24-21(27)14-28-30-24/h6-9,12-14,16H,10-11,15H2,1-5H3,(H,28,30)
InChIKeyJMJCCEXIFUOKLB-UHFFFAOYSA-N
XLogP6.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.57
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 4-methyl-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine (CID 71240558) is 4-methyl-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 4-methyl-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 4-methyl-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine is Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)ccc4[nH]ncc34)cc(C)c2C1.
What is the InChIKey of 4-methyl-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is JMJCCEXIFUOKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4/c1-16(2)20-8-6-17(3)26(13-20)31-11-10-23-22(15-31)19(5)12-25(29-23)27-18(4)7-9-24-21(27)14-28-30-24/h6-9,12-14,16H,10-11,15H2,1-5H3,(H,28,30).
What are the key properties of 4-methyl-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine?
4-methyl-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 410.57 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-methyl-1H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 71240558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).