1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone

C19H19F2N3O2 — CID 164958680

IUPAC1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCOCCCc1cn2cc(CC(=O)c3cccc(C(F)F)n3)ccc2n1
InChIInChI=1S/C19H19F2N3O2/c1-26-9-3-4-14-12-24-11-13(7-8-18(24)22-14)10-17(25)15-5-2-6-16(23-15)19(20)21/h2,5-8,11-12,19H,3-4,9-10H2,1H3
InChIKeyBNILBCPPRKLGHU-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.67
Rot. Bonds8

About 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone

1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone (PubChem CID 164958680) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone
PubChem CID164958680
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone
SMILESCOCCCc1cn2cc(CC(=O)c3cccc(C(F)F)n3)ccc2n1
InChIInChI=1S/C19H19F2N3O2/c1-26-9-3-4-14-12-24-11-13(7-8-18(24)22-14)10-17(25)15-5-2-6-16(23-15)19(20)21/h2,5-8,11-12,19H,3-4,9-10H2,1H3
InChIKeyBNILBCPPRKLGHU-UHFFFAOYSA-N
XLogP3.67
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo(1,2-a)Pyridin-3-Yl)-Phenyl-Methanone
CID 5289179
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 712408
Ethyl 2-(4-methylphenyl)-alpha-oxoimidazo(1,2-a)pyridine-3-acetate
CID 4962038
(3-Fluoro-2-(trifluoromethyl)phenyl)(1-(morpholinomethyl)imidazo[1,5-a]pyridin-3-yl)methanone
CID 54585060
2-(4-Methylphenyl)imidazo(1,2-a)pyridine-3-carbaldehyde
CID 1096449
3-Formyl-2-phenylimidazo(1,2-a)pyridine
CID 820933
Aminoimidazo[1,2-a]pyridine deriv. 14
CID 5330614
Aminoimidazo[1,2-a]pyridine deriv. 25
CID 5330625
1-[1-(Imidazo[1,2-A]pyridin-5-Yl)-7-(Morpholin-4-Yl)indolizin-3-Yl]ethanone
CID 127038798
[4-(Azepane-1-carbonyl)phenyl]-(6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
CID 46846868
(4-(3-(4-(Difluoromethyl)phenyl)imidazo[1,2-a]pyrazin-6-yl)phenyl)(4-methylpiperazin-1-yl)methanone
CID 89826764
(4-Methylpiperazin-1-yl)(4-(3-(4-(trifluoromethyl)phenyl)imidazo[1,2-a]pyrazin-6-yl)phenyl)methanone
CID 117737362

Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone (CID 164958680) is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone is COCCCc1cn2cc(CC(=O)c3cccc(C(F)F)n3)ccc2n1.
What is the InChIKey of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone?
The InChIKey is BNILBCPPRKLGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-26-9-3-4-14-12-24-11-13(7-8-18(24)22-14)10-17(25)15-5-2-6-16(23-15)19(20)21/h2,5-8,11-12,19H,3-4,9-10H2,1H3.
What are the key properties of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone?
1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone has a molecular weight of 359.38 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone is sourced from PubChem (CID 164958680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).