4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carboxylic acid

C19H17ClF2N4O3 — CID 135283700

IUPAC4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carboxylic acid
SMILESCOc1cccc(F)c1-c1c(Cl)cn2c(N3CCN(C(=O)O)CC3)cnc2c1F
InChIInChI=1S/C19H17ClF2N4O3/c1-29-13-4-2-3-12(21)16(13)15-11(20)10-26-14(9-23-18(26)17(15)22)24-5-7-25(8-6-24)19(27)28/h2-4,9-10H,5-8H2,1H3,(H,27,28)
InChIKeyASZIYJRBGHLNBP-UHFFFAOYSA-N
MW422.82 g/mol
LogP3.74
Rot. Bonds3

About 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carboxylic acid

4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carboxylic acid (PubChem CID 135283700) has the molecular formula C19H17ClF2N4O3 and a molecular weight of 422.82 g/mol. Its IUPAC name is 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carboxylic acid
PubChem CID135283700
Molecular FormulaC19H17ClF2N4O3
Molecular Weight422.82 g/mol
Exact Mass422.10
IUPAC Name4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carboxylic acid
SMILESCOc1cccc(F)c1-c1c(Cl)cn2c(N3CCN(C(=O)O)CC3)cnc2c1F
InChIInChI=1S/C19H17ClF2N4O3/c1-29-13-4-2-3-12(21)16(13)15-11(20)10-26-14(9-23-18(26)17(15)22)24-5-7-25(8-6-24)19(27)28/h2-4,9-10H,5-8H2,1H3,(H,27,28)
InChIKeyASZIYJRBGHLNBP-UHFFFAOYSA-N
XLogP3.74
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.82
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carboxylic acid (CID 135283700) is 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carboxylic acid is COc1cccc(F)c1-c1c(Cl)cn2c(N3CCN(C(=O)O)CC3)cnc2c1F.
What is the InChIKey of 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carboxylic acid?
The InChIKey is ASZIYJRBGHLNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N4O3/c1-29-13-4-2-3-12(21)16(13)15-11(20)10-26-14(9-23-18(26)17(15)22)24-5-7-25(8-6-24)19(27)28/h2-4,9-10H,5-8H2,1H3,(H,27,28).
What are the key properties of 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carboxylic acid?
4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carboxylic acid has a molecular weight of 422.82 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 135283700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).