6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine

C24H28N6 — CID 71240413

IUPAC6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCn1nc(C)c(N2CCc3nc(-c4c(C)ccc5[nH]ncc45)cc(C)c3C2)c1C
InChIInChI=1S/C24H28N6/c1-6-30-17(5)24(16(4)28-30)29-10-9-20-19(13-29)15(3)11-22(26-20)23-14(2)7-8-21-18(23)12-25-27-21/h7-8,11-12H,6,9-10,13H2,1-5H3,(H,25,27)
InChIKeyYIFLFNOMXJEUJD-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.64
Rot. Bonds3

About 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine

6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 71240413) has the molecular formula C24H28N6 and a molecular weight of 400.53 g/mol. Its IUPAC name is 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID71240413
Molecular FormulaC24H28N6
Molecular Weight400.53 g/mol
Exact Mass400.24
IUPAC Name6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCn1nc(C)c(N2CCc3nc(-c4c(C)ccc5[nH]ncc45)cc(C)c3C2)c1C
InChIInChI=1S/C24H28N6/c1-6-30-17(5)24(16(4)28-30)29-10-9-20-19(13-29)15(3)11-22(26-20)23-14(2)7-8-21-18(23)12-25-27-21/h7-8,11-12H,6,9-10,13H2,1-5H3,(H,25,27)
InChIKeyYIFLFNOMXJEUJD-UHFFFAOYSA-N
XLogP4.64
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine (CID 71240413) is 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine is CCn1nc(C)c(N2CCc3nc(-c4c(C)ccc5[nH]ncc45)cc(C)c3C2)c1C.
What is the InChIKey of 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is YIFLFNOMXJEUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6/c1-6-30-17(5)24(16(4)28-30)29-10-9-20-19(13-29)15(3)11-22(26-20)23-14(2)7-8-21-18(23)12-25-27-21/h7-8,11-12H,6,9-10,13H2,1-5H3,(H,25,27).
What are the key properties of 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine?
6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 400.53 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methyl-2-(5-methyl-1H-indazol-4-yl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 71240413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).