[3-(3,4-difluoroanilino)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone

C19H18F2N4O — CID 24790554

IUPAC[3-(3,4-difluoroanilino)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
SMILESO=C(c1cn2ccccc2n1)N1CCCC(Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H18F2N4O/c20-15-7-6-13(10-16(15)21)22-14-4-3-9-25(11-14)19(26)17-12-24-8-2-1-5-18(24)23-17/h1-2,5-8,10,12,14,22H,3-4,9,11H2
InChIKeyQRNGAOXSGUQIIZ-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.33
Rot. Bonds3

About [3-(3,4-difluoroanilino)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone

[3-(3,4-difluoroanilino)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone (PubChem CID 24790554) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is [3-(3,4-difluoroanilino)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(3,4-difluoroanilino)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
PubChem CID24790554
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name[3-(3,4-difluoroanilino)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
SMILESO=C(c1cn2ccccc2n1)N1CCCC(Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H18F2N4O/c20-15-7-6-13(10-16(15)21)22-14-4-3-9-25(11-14)19(26)17-12-24-8-2-1-5-18(24)23-17/h1-2,5-8,10,12,14,22H,3-4,9,11H2
InChIKeyQRNGAOXSGUQIIZ-UHFFFAOYSA-N
XLogP3.33
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-difluoroanilino)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The IUPAC name of [3-(3,4-difluoroanilino)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone (CID 24790554) is [3-(3,4-difluoroanilino)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone.
What is the SMILES notation for [3-(3,4-difluoroanilino)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The canonical SMILES for [3-(3,4-difluoroanilino)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone is O=C(c1cn2ccccc2n1)N1CCCC(Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of [3-(3,4-difluoroanilino)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The InChIKey is QRNGAOXSGUQIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c20-15-7-6-13(10-16(15)21)22-14-4-3-9-25(11-14)19(26)17-12-24-8-2-1-5-18(24)23-17/h1-2,5-8,10,12,14,22H,3-4,9,11H2.
What are the key properties of [3-(3,4-difluoroanilino)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
[3-(3,4-difluoroanilino)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone has a molecular weight of 356.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-difluoroanilino)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone is sourced from PubChem (CID 24790554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).