methyl 2-amino-1'-[(3-fluorophenyl)methyl]-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate

C25H20FN3O5 — CID 18886312

IUPACmethyl 2-amino-1'-[(3-fluorophenyl)methyl]-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C12C(=O)N(Cc1cccc(F)c1)c1ccccc12
InChIInChI=1S/C25H20FN3O5/c1-13-10-18-19(22(30)28-13)25(20(21(27)34-18)23(31)33-2)16-8-3-4-9-17(16)29(24(25)32)12-14-6-5-7-15(26)11-14/h3-11H,12,27H2,1-2H3,(H,28,30)
InChIKeyGQQRXEDNQFVEAT-UHFFFAOYSA-N
MW461.45 g/mol
LogP2.39
Rot. Bonds3

About methyl 2-amino-1'-[(3-fluorophenyl)methyl]-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate

methyl 2-amino-1'-[(3-fluorophenyl)methyl]-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate (PubChem CID 18886312) has the molecular formula C25H20FN3O5 and a molecular weight of 461.45 g/mol. Its IUPAC name is methyl 2-amino-1'-[(3-fluorophenyl)methyl]-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-1'-[(3-fluorophenyl)methyl]-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate
PubChem CID18886312
Molecular FormulaC25H20FN3O5
Molecular Weight461.45 g/mol
Exact Mass461.14
IUPAC Namemethyl 2-amino-1'-[(3-fluorophenyl)methyl]-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C12C(=O)N(Cc1cccc(F)c1)c1ccccc12
InChIInChI=1S/C25H20FN3O5/c1-13-10-18-19(22(30)28-13)25(20(21(27)34-18)23(31)33-2)16-8-3-4-9-17(16)29(24(25)32)12-14-6-5-7-15(26)11-14/h3-11H,12,27H2,1-2H3,(H,28,30)
InChIKeyGQQRXEDNQFVEAT-UHFFFAOYSA-N
XLogP2.39
TPSA114.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-amino-1'-[(3-fluorophenyl)methyl]-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-1'-[(3-fluorophenyl)methyl]-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate?
The IUPAC name of methyl 2-amino-1'-[(3-fluorophenyl)methyl]-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate (CID 18886312) is methyl 2-amino-1'-[(3-fluorophenyl)methyl]-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate.
What is the SMILES notation for methyl 2-amino-1'-[(3-fluorophenyl)methyl]-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate?
The canonical SMILES for methyl 2-amino-1'-[(3-fluorophenyl)methyl]-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate is COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C12C(=O)N(Cc1cccc(F)c1)c1ccccc12.
What is the InChIKey of methyl 2-amino-1'-[(3-fluorophenyl)methyl]-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate?
The InChIKey is GQQRXEDNQFVEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O5/c1-13-10-18-19(22(30)28-13)25(20(21(27)34-18)23(31)33-2)16-8-3-4-9-17(16)29(24(25)32)12-14-6-5-7-15(26)11-14/h3-11H,12,27H2,1-2H3,(H,28,30).
What are the key properties of methyl 2-amino-1'-[(3-fluorophenyl)methyl]-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate?
methyl 2-amino-1'-[(3-fluorophenyl)methyl]-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate has a molecular weight of 461.45 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-1'-[(3-fluorophenyl)methyl]-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate is sourced from PubChem (CID 18886312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).