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

C19H11F2N3O2S — CID 5330636

IUPAC[2-amino-3-(thiophene-2-carbonyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone
SMILESNc1nc2ccc(C(=O)c3c(F)cccc3F)cn2c1C(=O)c1cccs1
InChIInChI=1S/C19H11F2N3O2S/c20-11-3-1-4-12(21)15(11)17(25)10-6-7-14-23-19(22)16(24(14)9-10)18(26)13-5-2-8-27-13/h1-9H,22H2
InChIKeyJXZDETNFHHPYMT-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.72
Rot. Bonds4

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

[2-amino-3-(thiophene-2-carbonyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone (PubChem CID 5330636) has the molecular formula C19H11F2N3O2S and a molecular weight of 383.38 g/mol. Its IUPAC name is [2-amino-3-(thiophene-2-carbonyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-3-(thiophene-2-carbonyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone
PubChem CID5330636
Molecular FormulaC19H11F2N3O2S
Molecular Weight383.38 g/mol
Exact Mass383.05
IUPAC Name[2-amino-3-(thiophene-2-carbonyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone
SMILESNc1nc2ccc(C(=O)c3c(F)cccc3F)cn2c1C(=O)c1cccs1
InChIInChI=1S/C19H11F2N3O2S/c20-11-3-1-4-12(21)15(11)17(25)10-6-7-14-23-19(22)16(24(14)9-10)18(26)13-5-2-8-27-13/h1-9H,22H2
InChIKeyJXZDETNFHHPYMT-UHFFFAOYSA-N
XLogP3.72
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-amino-3-(thiophene-2-carbonyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [2-amino-3-(thiophene-2-carbonyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone (CID 5330636) is [2-amino-3-(thiophene-2-carbonyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [2-amino-3-(thiophene-2-carbonyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [2-amino-3-(thiophene-2-carbonyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone is Nc1nc2ccc(C(=O)c3c(F)cccc3F)cn2c1C(=O)c1cccs1.
What is the InChIKey of [2-amino-3-(thiophene-2-carbonyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is JXZDETNFHHPYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2N3O2S/c20-11-3-1-4-12(21)15(11)17(25)10-6-7-14-23-19(22)16(24(14)9-10)18(26)13-5-2-8-27-13/h1-9H,22H2.
What are the key properties of [2-amino-3-(thiophene-2-carbonyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone?
[2-amino-3-(thiophene-2-carbonyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 383.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-(thiophene-2-carbonyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 5330636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).