methyl 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxylate

C22H22N4O3 — CID 135414445

IUPACmethyl 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(-c3cc4cc(CN5CCOCC5)ccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C22H22N4O3/c1-28-22(27)15-3-4-17-19(11-15)24-25-21(17)20-12-16-10-14(2-5-18(16)23-20)13-26-6-8-29-9-7-26/h2-5,10-12,23H,6-9,13H2,1H3,(H,24,25)
InChIKeyWSNMWYMIZKBEKA-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.33
Rot. Bonds4

About methyl 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxylate

methyl 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxylate (PubChem CID 135414445) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is methyl 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxylate
PubChem CID135414445
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Namemethyl 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(-c3cc4cc(CN5CCOCC5)ccc4[nH]3)n[nH]c2c1
InChIInChI=1S/C22H22N4O3/c1-28-22(27)15-3-4-17-19(11-15)24-25-21(17)20-12-16-10-14(2-5-18(16)23-20)13-26-6-8-29-9-7-26/h2-5,10-12,23H,6-9,13H2,1H3,(H,24,25)
InChIKeyWSNMWYMIZKBEKA-UHFFFAOYSA-N
XLogP3.33
TPSA83.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxylate?
The IUPAC name of methyl 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxylate (CID 135414445) is methyl 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxylate.
What is the SMILES notation for methyl 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxylate?
The canonical SMILES for methyl 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxylate is COC(=O)c1ccc2c(-c3cc4cc(CN5CCOCC5)ccc4[nH]3)n[nH]c2c1.
What is the InChIKey of methyl 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxylate?
The InChIKey is WSNMWYMIZKBEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-28-22(27)15-3-4-17-19(11-15)24-25-21(17)20-12-16-10-14(2-5-18(16)23-20)13-26-6-8-29-9-7-26/h2-5,10-12,23H,6-9,13H2,1H3,(H,24,25).
What are the key properties of methyl 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxylate?
methyl 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxylate is sourced from PubChem (CID 135414445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).