methyl 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetate

C18H21N3O4 — CID 6625461

IUPACmethyl 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetate
SMILESCOC(=O)Cn1cc2c(n1)-c1c(oc(C(=O)N3CCCC3)c1C)CC2
InChIInChI=1S/C18H21N3O4/c1-11-15-13(25-17(11)18(23)20-7-3-4-8-20)6-5-12-9-21(19-16(12)15)10-14(22)24-2/h9H,3-8,10H2,1-2H3
InChIKeyQWFNKMHDASJEEU-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.96
Rot. Bonds3

About methyl 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetate

methyl 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetate (PubChem CID 6625461) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetate
PubChem CID6625461
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Namemethyl 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetate
SMILESCOC(=O)Cn1cc2c(n1)-c1c(oc(C(=O)N3CCCC3)c1C)CC2
InChIInChI=1S/C18H21N3O4/c1-11-15-13(25-17(11)18(23)20-7-3-4-8-20)6-5-12-9-21(19-16(12)15)10-14(22)24-2/h9H,3-8,10H2,1-2H3
InChIKeyQWFNKMHDASJEEU-UHFFFAOYSA-N
XLogP1.96
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetate?
The IUPAC name of methyl 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetate (CID 6625461) is methyl 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetate?
The canonical SMILES for methyl 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetate is COC(=O)Cn1cc2c(n1)-c1c(oc(C(=O)N3CCCC3)c1C)CC2.
What is the InChIKey of methyl 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetate?
The InChIKey is QWFNKMHDASJEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11-15-13(25-17(11)18(23)20-7-3-4-8-20)6-5-12-9-21(19-16(12)15)10-14(22)24-2/h9H,3-8,10H2,1-2H3.
What are the key properties of methyl 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetate?
methyl 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetate has a molecular weight of 343.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetate is sourced from PubChem (CID 6625461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).