[2-amino-3-(2-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone

C22H15F2N3O3 — CID 5330617

IUPAC[2-amino-3-(2-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone
SMILESCOc1ccccc1C(=O)c1c(N)nc2ccc(C(=O)c3c(F)cccc3F)cn12
InChIInChI=1S/C22H15F2N3O3/c1-30-16-8-3-2-5-13(16)21(29)19-22(25)26-17-10-9-12(11-27(17)19)20(28)18-14(23)6-4-7-15(18)24/h2-11H,25H2,1H3
InChIKeyMJRPKDKGAYBJSG-UHFFFAOYSA-N
MW407.38 g/mol
LogP3.67
Rot. Bonds5

About [2-amino-3-(2-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone

[2-amino-3-(2-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone (PubChem CID 5330617) has the molecular formula C22H15F2N3O3 and a molecular weight of 407.38 g/mol. Its IUPAC name is [2-amino-3-(2-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-3-(2-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone
PubChem CID5330617
Molecular FormulaC22H15F2N3O3
Molecular Weight407.38 g/mol
Exact Mass407.11
IUPAC Name[2-amino-3-(2-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone
SMILESCOc1ccccc1C(=O)c1c(N)nc2ccc(C(=O)c3c(F)cccc3F)cn12
InChIInChI=1S/C22H15F2N3O3/c1-30-16-8-3-2-5-13(16)21(29)19-22(25)26-17-10-9-12(11-27(17)19)20(28)18-14(23)6-4-7-15(18)24/h2-11H,25H2,1H3
InChIKeyMJRPKDKGAYBJSG-UHFFFAOYSA-N
XLogP3.67
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-amino-3-(2-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [2-amino-3-(2-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone (CID 5330617) is [2-amino-3-(2-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [2-amino-3-(2-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [2-amino-3-(2-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone is COc1ccccc1C(=O)c1c(N)nc2ccc(C(=O)c3c(F)cccc3F)cn12.
What is the InChIKey of [2-amino-3-(2-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is MJRPKDKGAYBJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O3/c1-30-16-8-3-2-5-13(16)21(29)19-22(25)26-17-10-9-12(11-27(17)19)20(28)18-14(23)6-4-7-15(18)24/h2-11H,25H2,1H3.
What are the key properties of [2-amino-3-(2-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone?
[2-amino-3-(2-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 407.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-(2-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 5330617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).