methyl 5-[(1H-indazol-5-ylamino)methyl]-2-methylfuran-3-carboxylate

C15H15N3O3 — CID 43230989

IUPACmethyl 5-[(1H-indazol-5-ylamino)methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNc2ccc3[nH]ncc3c2)oc1C
InChIInChI=1S/C15H15N3O3/c1-9-13(15(19)20-2)6-12(21-9)8-16-11-3-4-14-10(5-11)7-17-18-14/h3-7,16H,8H2,1-2H3,(H,17,18)
InChIKeyQAYKHGGARWPBSH-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.86
Rot. Bonds4

About methyl 5-[(1H-indazol-5-ylamino)methyl]-2-methylfuran-3-carboxylate

methyl 5-[(1H-indazol-5-ylamino)methyl]-2-methylfuran-3-carboxylate (PubChem CID 43230989) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 5-[(1H-indazol-5-ylamino)methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1H-indazol-5-ylamino)methyl]-2-methylfuran-3-carboxylate
PubChem CID43230989
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namemethyl 5-[(1H-indazol-5-ylamino)methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNc2ccc3[nH]ncc3c2)oc1C
InChIInChI=1S/C15H15N3O3/c1-9-13(15(19)20-2)6-12(21-9)8-16-11-3-4-14-10(5-11)7-17-18-14/h3-7,16H,8H2,1-2H3,(H,17,18)
InChIKeyQAYKHGGARWPBSH-UHFFFAOYSA-N
XLogP2.86
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[5-[(1H-indazol-5-ylamino)methyl]furan-2-yl]benzoate
CID 167841271
methyl 5-[(3,5-dimethylanilino)methyl]-2-methylfuran-3-carboxylate
CID 43222394
methyl 5-[(3-iodoanilino)methyl]-2-methylfuran-3-carboxylate
CID 43222423
methyl 5-[[3-(dimethylamino)anilino]methyl]-2-methylfuran-3-carboxylate
CID 78914081
methyl 2-methyl-5-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]furan-3-carboxylate
CID 62903014
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate
CID 43222319
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine
CID 43782695
methyl 2-methyl-5-[[(5-methyl-1H-indazole-3-carbonyl)amino]methyl]furan-3-carboxylate
CID 78866428
methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate
CID 113253716
N-[(5-ethylfuran-2-yl)methyl]-1H-indazol-6-amine
CID 62345636

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1H-indazol-5-ylamino)methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(1H-indazol-5-ylamino)methyl]-2-methylfuran-3-carboxylate (CID 43230989) is methyl 5-[(1H-indazol-5-ylamino)methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(1H-indazol-5-ylamino)methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(1H-indazol-5-ylamino)methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CNc2ccc3[nH]ncc3c2)oc1C.
What is the InChIKey of methyl 5-[(1H-indazol-5-ylamino)methyl]-2-methylfuran-3-carboxylate?
The InChIKey is QAYKHGGARWPBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-13(15(19)20-2)6-12(21-9)8-16-11-3-4-14-10(5-11)7-17-18-14/h3-7,16H,8H2,1-2H3,(H,17,18).
What are the key properties of methyl 5-[(1H-indazol-5-ylamino)methyl]-2-methylfuran-3-carboxylate?
methyl 5-[(1H-indazol-5-ylamino)methyl]-2-methylfuran-3-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1H-indazol-5-ylamino)methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 43230989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).