[5-[(E)-C-ethyl-N-(methylideneamino)carbonimidoyl]-3,3-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone

C17H19F2N5O — CID 123353013

IUPAC[5-[(E)-C-ethyl-N-(methylideneamino)carbonimidoyl]-3,3-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
SMILESC=N/N=C(\CC)C1CN(C(=O)c2cn3ccccc3n2)CC(F)(F)C1
InChIInChI=1S/C17H19F2N5O/c1-3-13(22-20-2)12-8-17(18,19)11-24(9-12)16(25)14-10-23-7-5-4-6-15(23)21-14/h4-7,10,12H,2-3,8-9,11H2,1H3/b22-13+
InChIKeyFAWBCADWLOORCB-LPYMAVHISA-N
MW347.37 g/mol
LogP2.90
Rot. Bonds4

About [5-[(E)-C-ethyl-N-(methylideneamino)carbonimidoyl]-3,3-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone

[5-[(E)-C-ethyl-N-(methylideneamino)carbonimidoyl]-3,3-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone (PubChem CID 123353013) has the molecular formula C17H19F2N5O and a molecular weight of 347.37 g/mol. Its IUPAC name is [5-[(E)-C-ethyl-N-(methylideneamino)carbonimidoyl]-3,3-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone.

Molecular Properties

Compound Name[5-[(E)-C-ethyl-N-(methylideneamino)carbonimidoyl]-3,3-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
PubChem CID123353013
Molecular FormulaC17H19F2N5O
Molecular Weight347.37 g/mol
Exact Mass347.16
IUPAC Name[5-[(E)-C-ethyl-N-(methylideneamino)carbonimidoyl]-3,3-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
SMILESC=N/N=C(\CC)C1CN(C(=O)c2cn3ccccc3n2)CC(F)(F)C1
InChIInChI=1S/C17H19F2N5O/c1-3-13(22-20-2)12-8-17(18,19)11-24(9-12)16(25)14-10-23-7-5-4-6-15(23)21-14/h4-7,10,12H,2-3,8-9,11H2,1H3/b22-13+
InChIKeyFAWBCADWLOORCB-LPYMAVHISA-N
XLogP2.90
TPSA62.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)azetidin-3-yl]acetic acid
CID 64603533
2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79612699
1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 43355877
ethyl 1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate
CID 87051265
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone;dihydrochloride
CID 120809724
(3R,4R)-4-cyclopropyl-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 120978575
imidazo[1,2-a]pyridin-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 46981584
1-imidazo[1,2-a]pyridin-2-ylethanone
CID 11194486
[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
CID 42518126
imidazo[1,2-a]pyridin-2-yl-[(3S,4R)-3-(methoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 110202696
(3R)-3-[4-(imidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 97342768
(4-hydroxy-1,2-oxazolidin-2-yl)-imidazo[1,2-a]pyridin-2-ylmethanone
CID 112736664

Frequently Asked Questions

What is the IUPAC name of [5-[(E)-C-ethyl-N-(methylideneamino)carbonimidoyl]-3,3-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The IUPAC name of [5-[(E)-C-ethyl-N-(methylideneamino)carbonimidoyl]-3,3-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone (CID 123353013) is [5-[(E)-C-ethyl-N-(methylideneamino)carbonimidoyl]-3,3-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone.
What is the SMILES notation for [5-[(E)-C-ethyl-N-(methylideneamino)carbonimidoyl]-3,3-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The canonical SMILES for [5-[(E)-C-ethyl-N-(methylideneamino)carbonimidoyl]-3,3-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone is C=N/N=C(\CC)C1CN(C(=O)c2cn3ccccc3n2)CC(F)(F)C1.
What is the InChIKey of [5-[(E)-C-ethyl-N-(methylideneamino)carbonimidoyl]-3,3-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The InChIKey is FAWBCADWLOORCB-LPYMAVHISA-N. The full InChI is InChI=1S/C17H19F2N5O/c1-3-13(22-20-2)12-8-17(18,19)11-24(9-12)16(25)14-10-23-7-5-4-6-15(23)21-14/h4-7,10,12H,2-3,8-9,11H2,1H3/b22-13+.
What are the key properties of [5-[(E)-C-ethyl-N-(methylideneamino)carbonimidoyl]-3,3-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
[5-[(E)-C-ethyl-N-(methylideneamino)carbonimidoyl]-3,3-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone has a molecular weight of 347.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-C-ethyl-N-(methylideneamino)carbonimidoyl]-3,3-difluoropiperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone is sourced from PubChem (CID 123353013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).