methyl 7-amino-2-[2-fluoro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C18H15FN6O2 — CID 146634499

IUPACmethyl 7-amino-2-[2-fluoro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(N)c2[nH]c(-c3cccc(-c4ncn(C)n4)c3F)cc12
InChIInChI=1S/C18H15FN6O2/c1-25-8-22-17(24-25)10-5-3-4-9(14(10)19)13-6-11-12(18(26)27-2)7-21-16(20)15(11)23-13/h3-8,23H,1-2H3,(H2,20,21)
InChIKeyFXQZGTJUKDLIKK-UHFFFAOYSA-N
MW366.36 g/mol
LogP2.53
Rot. Bonds3

About methyl 7-amino-2-[2-fluoro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

methyl 7-amino-2-[2-fluoro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 146634499) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 g/mol. Its IUPAC name is methyl 7-amino-2-[2-fluoro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-amino-2-[2-fluoro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
PubChem CID146634499
Molecular FormulaC18H15FN6O2
Molecular Weight366.36 g/mol
Exact Mass366.12
IUPAC Namemethyl 7-amino-2-[2-fluoro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(N)c2[nH]c(-c3cccc(-c4ncn(C)n4)c3F)cc12
InChIInChI=1S/C18H15FN6O2/c1-25-8-22-17(24-25)10-5-3-4-9(14(10)19)13-6-11-12(18(26)27-2)7-21-16(20)15(11)23-13/h3-8,23H,1-2H3,(H2,20,21)
InChIKeyFXQZGTJUKDLIKK-UHFFFAOYSA-N
XLogP2.53
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 7-amino-2-[2-fluoro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The IUPAC name of methyl 7-amino-2-[2-fluoro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 146634499) is methyl 7-amino-2-[2-fluoro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.
What is the SMILES notation for methyl 7-amino-2-[2-fluoro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The canonical SMILES for methyl 7-amino-2-[2-fluoro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is COC(=O)c1cnc(N)c2[nH]c(-c3cccc(-c4ncn(C)n4)c3F)cc12.
What is the InChIKey of methyl 7-amino-2-[2-fluoro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The InChIKey is FXQZGTJUKDLIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2/c1-25-8-22-17(24-25)10-5-3-4-9(14(10)19)13-6-11-12(18(26)27-2)7-21-16(20)15(11)23-13/h3-8,23H,1-2H3,(H2,20,21).
What are the key properties of methyl 7-amino-2-[2-fluoro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
methyl 7-amino-2-[2-fluoro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 366.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-amino-2-[2-fluoro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 146634499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).