methyl 3-morpholin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxylate

C14H15N5O3 — CID 155032728

IUPACmethyl 3-morpholin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxylate
SMILESCOC(=O)c1nc2cc3[nH][nH]c(N4CCOCC4)c3cc2n1
InChIInChI=1S/C14H15N5O3/c1-21-14(20)12-15-10-6-8-9(7-11(10)16-12)17-18-13(8)19-2-4-22-5-3-19/h6-7,17-18H,2-5H2,1H3
InChIKeyNCCVSQMIDDFVHL-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.06
Rot. Bonds2

About methyl 3-morpholin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxylate

methyl 3-morpholin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxylate (PubChem CID 155032728) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is methyl 3-morpholin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-morpholin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxylate
PubChem CID155032728
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Namemethyl 3-morpholin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxylate
SMILESCOC(=O)c1nc2cc3[nH][nH]c(N4CCOCC4)c3cc2n1
InChIInChI=1S/C14H15N5O3/c1-21-14(20)12-15-10-6-8-9(7-11(10)16-12)17-18-13(8)19-2-4-22-5-3-19/h6-7,17-18H,2-5H2,1H3
InChIKeyNCCVSQMIDDFVHL-UHFFFAOYSA-N
XLogP1.06
TPSA96.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-morpholin-4-yl-N-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
CID 138562746
methyl 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxylate
CID 67294429
methyl 4-morpholin-4-ylpyrimidine-2-carboxylate
CID 150936080
methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate
CID 66287425
methyl 6-morpholin-4-ylquinoline-4-carboxylate
CID 102941785
methyl 3-methyl-5-morpholin-4-ylthiophene-2-carboxylate
CID 121224668
3-morpholin-4-yl-1-trityl-2H-imidazo[4,5-f]indazole-6-carboxylic acid
CID 174982586
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
methyl 2-methyl-6-morpholin-4-ylpyridine-4-carboxylate;3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)-3-oxopropanenitrile
CID 158591232
methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109365464
methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate
CID 22425302
4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid
CID 102942059

Frequently Asked Questions

What is the IUPAC name of methyl 3-morpholin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxylate?
The IUPAC name of methyl 3-morpholin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxylate (CID 155032728) is methyl 3-morpholin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxylate.
What is the SMILES notation for methyl 3-morpholin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxylate?
The canonical SMILES for methyl 3-morpholin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxylate is COC(=O)c1nc2cc3[nH][nH]c(N4CCOCC4)c3cc2n1.
What is the InChIKey of methyl 3-morpholin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxylate?
The InChIKey is NCCVSQMIDDFVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-21-14(20)12-15-10-6-8-9(7-11(10)16-12)17-18-13(8)19-2-4-22-5-3-19/h6-7,17-18H,2-5H2,1H3.
What are the key properties of methyl 3-morpholin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxylate?
methyl 3-morpholin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxylate has a molecular weight of 301.31 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-morpholin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxylate is sourced from PubChem (CID 155032728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).