5-(7-ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl)-3,6-difluoropyridin-2-amine

C17H18F2N4O3S — CID 170616388

IUPAC5-(7-ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl)-3,6-difluoropyridin-2-amine
SMILESCCOc1cc2ncc(-c3cc(F)c(N)nc3F)n2cc1S(=O)(=O)C(C)C
InChIInChI=1S/C17H18F2N4O3S/c1-4-26-13-6-15-21-7-12(10-5-11(18)17(20)22-16(10)19)23(15)8-14(13)27(24,25)9(2)3/h5-9H,4H2,1-3H3,(H2,20,22)
InChIKeyJUWJNYLGOSNNKT-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.84
Rot. Bonds5

About 5-(7-ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl)-3,6-difluoropyridin-2-amine

5-(7-ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl)-3,6-difluoropyridin-2-amine (PubChem CID 170616388) has the molecular formula C17H18F2N4O3S and a molecular weight of 396.42 g/mol. Its IUPAC name is 5-(7-ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl)-3,6-difluoropyridin-2-amine.

Molecular Properties

Compound Name5-(7-ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl)-3,6-difluoropyridin-2-amine
PubChem CID170616388
Molecular FormulaC17H18F2N4O3S
Molecular Weight396.42 g/mol
Exact Mass396.11
IUPAC Name5-(7-ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl)-3,6-difluoropyridin-2-amine
SMILESCCOc1cc2ncc(-c3cc(F)c(N)nc3F)n2cc1S(=O)(=O)C(C)C
InChIInChI=1S/C17H18F2N4O3S/c1-4-26-13-6-15-21-7-12(10-5-11(18)17(20)22-16(10)19)23(15)8-14(13)27(24,25)9(2)3/h5-9H,4H2,1-3H3,(H2,20,22)
InChIKeyJUWJNYLGOSNNKT-UHFFFAOYSA-N
XLogP2.84
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(7-ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl)-3,6-difluoropyridin-2-amine?
The IUPAC name of 5-(7-ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl)-3,6-difluoropyridin-2-amine (CID 170616388) is 5-(7-ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl)-3,6-difluoropyridin-2-amine.
What is the SMILES notation for 5-(7-ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl)-3,6-difluoropyridin-2-amine?
The canonical SMILES for 5-(7-ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl)-3,6-difluoropyridin-2-amine is CCOc1cc2ncc(-c3cc(F)c(N)nc3F)n2cc1S(=O)(=O)C(C)C.
What is the InChIKey of 5-(7-ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl)-3,6-difluoropyridin-2-amine?
The InChIKey is JUWJNYLGOSNNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O3S/c1-4-26-13-6-15-21-7-12(10-5-11(18)17(20)22-16(10)19)23(15)8-14(13)27(24,25)9(2)3/h5-9H,4H2,1-3H3,(H2,20,22).
What are the key properties of 5-(7-ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl)-3,6-difluoropyridin-2-amine?
5-(7-ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl)-3,6-difluoropyridin-2-amine has a molecular weight of 396.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl)-3,6-difluoropyridin-2-amine is sourced from PubChem (CID 170616388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).