methyl 2-methyl-5-[[(5-methyl-1H-indazole-3-carbonyl)amino]methyl]furan-3-carboxylate

C17H17N3O4 — CID 78866428

IUPACmethyl 2-methyl-5-[[(5-methyl-1H-indazole-3-carbonyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)c2n[nH]c3ccc(C)cc23)oc1C
InChIInChI=1S/C17H17N3O4/c1-9-4-5-14-13(6-9)15(20-19-14)16(21)18-8-11-7-12(10(2)24-11)17(22)23-3/h4-7H,8H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyNWKFINBFEYHMIO-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.49
Rot. Bonds4

About methyl 2-methyl-5-[[(5-methyl-1H-indazole-3-carbonyl)amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[(5-methyl-1H-indazole-3-carbonyl)amino]methyl]furan-3-carboxylate (PubChem CID 78866428) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is methyl 2-methyl-5-[[(5-methyl-1H-indazole-3-carbonyl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[(5-methyl-1H-indazole-3-carbonyl)amino]methyl]furan-3-carboxylate
PubChem CID78866428
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Namemethyl 2-methyl-5-[[(5-methyl-1H-indazole-3-carbonyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)c2n[nH]c3ccc(C)cc23)oc1C
InChIInChI=1S/C17H17N3O4/c1-9-4-5-14-13(6-9)15(20-19-14)16(21)18-8-11-7-12(10(2)24-11)17(22)23-3/h4-7H,8H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyNWKFINBFEYHMIO-UHFFFAOYSA-N
XLogP2.49
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-5-[[(5-methyl-1H-indazole-3-carbonyl)amino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 2-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]methyl]furan-3-carboxylate
CID 124504957
methyl 2-methyl-5-[[3-(5-methyl-1H-indol-3-yl)propanoylamino]methyl]furan-3-carboxylate
CID 119042143
N-(cyclopropylmethyl)-5-methyl-1H-indazole-3-carboxamide
CID 78869607
5-methyl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide
CID 78859110
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
N-[(3-methoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78858952
5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide
CID 78859111
methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119293494
N-(1-hydroxypropan-2-yl)-5-methyl-1H-indazole-3-carboxamide
CID 110888660
methyl 5-[(2-chloro-4-methylanilino)methyl]-2-methylfuran-3-carboxylate
CID 37477190
methyl 5-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119731037
methyl 5-[[(5-bromo-2-iodobenzoyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 55612426

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[(5-methyl-1H-indazole-3-carbonyl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[(5-methyl-1H-indazole-3-carbonyl)amino]methyl]furan-3-carboxylate (CID 78866428) is methyl 2-methyl-5-[[(5-methyl-1H-indazole-3-carbonyl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[(5-methyl-1H-indazole-3-carbonyl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[(5-methyl-1H-indazole-3-carbonyl)amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CNC(=O)c2n[nH]c3ccc(C)cc23)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[(5-methyl-1H-indazole-3-carbonyl)amino]methyl]furan-3-carboxylate?
The InChIKey is NWKFINBFEYHMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-9-4-5-14-13(6-9)15(20-19-14)16(21)18-8-11-7-12(10(2)24-11)17(22)23-3/h4-7H,8H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of methyl 2-methyl-5-[[(5-methyl-1H-indazole-3-carbonyl)amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[(5-methyl-1H-indazole-3-carbonyl)amino]methyl]furan-3-carboxylate has a molecular weight of 327.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[(5-methyl-1H-indazole-3-carbonyl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 78866428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).