methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate

C19H16ClF2N3O3 — CID 118940020

IUPACmethyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3ccn(C(=O)C(C)C)c3c2F)c(F)c(N)c1Cl
InChIInChI=1S/C19H16ClF2N3O3/c1-8(2)18(26)25-7-6-9-4-5-10(12(21)17(9)25)15-13(22)14(23)11(20)16(24-15)19(27)28-3/h4-8H,1-3H3,(H2,23,24)
InChIKeyUZFQUIHPWCSPQO-UHFFFAOYSA-N
MW407.80 g/mol
LogP4.30
Rot. Bonds3

About methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate

methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate (PubChem CID 118940020) has the molecular formula C19H16ClF2N3O3 and a molecular weight of 407.80 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate
PubChem CID118940020
Molecular FormulaC19H16ClF2N3O3
Molecular Weight407.80 g/mol
Exact Mass407.08
IUPAC Namemethyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3ccn(C(=O)C(C)C)c3c2F)c(F)c(N)c1Cl
InChIInChI=1S/C19H16ClF2N3O3/c1-8(2)18(26)25-7-6-9-4-5-10(12(21)17(9)25)15-13(22)14(23)11(20)16(24-15)19(27)28-3/h4-8H,1-3H3,(H2,23,24)
InChIKeyUZFQUIHPWCSPQO-UHFFFAOYSA-N
XLogP4.30
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.80
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate (CID 118940020) is methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc3ccn(C(=O)C(C)C)c3c2F)c(F)c(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate?
The InChIKey is UZFQUIHPWCSPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O3/c1-8(2)18(26)25-7-6-9-4-5-10(12(21)17(9)25)15-13(22)14(23)11(20)16(24-15)19(27)28-3/h4-8H,1-3H3,(H2,23,24).
What are the key properties of methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate?
methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate has a molecular weight of 407.80 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-5-fluoro-6-[7-fluoro-1-(2-methylpropanoyl)indol-6-yl]pyridine-2-carboxylate is sourced from PubChem (CID 118940020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).