4-[[2-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine

C24H24N6O — CID 135559060

IUPAC4-[[2-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine
SMILESCn1cc(-c2ccc3c(-c4cc5cc(CN6CCOCC6)ccc5[nH]4)n[nH]c3c2)cn1
InChIInChI=1S/C24H24N6O/c1-29-15-19(13-25-29)17-3-4-20-22(11-17)27-28-24(20)23-12-18-10-16(2-5-21(18)26-23)14-30-6-8-31-9-7-30/h2-5,10-13,15,26H,6-9,14H2,1H3,(H,27,28)
InChIKeyWQNGLHBPLCVZOW-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.94
Rot. Bonds4

About 4-[[2-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine

4-[[2-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine (PubChem CID 135559060) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 4-[[2-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine
PubChem CID135559060
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name4-[[2-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine
SMILESCn1cc(-c2ccc3c(-c4cc5cc(CN6CCOCC6)ccc5[nH]4)n[nH]c3c2)cn1
InChIInChI=1S/C24H24N6O/c1-29-15-19(13-25-29)17-3-4-20-22(11-17)27-28-24(20)23-12-18-10-16(2-5-21(18)26-23)14-30-6-8-31-9-7-30/h2-5,10-13,15,26H,6-9,14H2,1H3,(H,27,28)
InChIKeyWQNGLHBPLCVZOW-UHFFFAOYSA-N
XLogP3.94
TPSA74.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[2-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine (CID 135559060) is 4-[[2-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine is Cn1cc(-c2ccc3c(-c4cc5cc(CN6CCOCC6)ccc5[nH]4)n[nH]c3c2)cn1.
What is the InChIKey of 4-[[2-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine?
The InChIKey is WQNGLHBPLCVZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-29-15-19(13-25-29)17-3-4-20-22(11-17)27-28-24(20)23-12-18-10-16(2-5-21(18)26-23)14-30-6-8-31-9-7-30/h2-5,10-13,15,26H,6-9,14H2,1H3,(H,27,28).
What are the key properties of 4-[[2-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine?
4-[[2-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine has a molecular weight of 412.50 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine is sourced from PubChem (CID 135559060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).