(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)methanone

C18H25FN4O — CID 72908166

IUPAC(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCCC1CN(C(=O)c2nc3ccc(C)cn3c2F)CCN1C(C)C
InChIInChI=1S/C18H25FN4O/c1-5-14-11-21(8-9-22(14)12(2)3)18(24)16-17(19)23-10-13(4)6-7-15(23)20-16/h6-7,10,12,14H,5,8-9,11H2,1-4H3
InChIKeyCLGMVOWXWZDJFP-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.73
Rot. Bonds3

About (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)methanone

(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 72908166) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID72908166
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCCC1CN(C(=O)c2nc3ccc(C)cn3c2F)CCN1C(C)C
InChIInChI=1S/C18H25FN4O/c1-5-14-11-21(8-9-22(14)12(2)3)18(24)16-17(19)23-10-13(4)6-7-15(23)20-16/h6-7,10,12,14H,5,8-9,11H2,1-4H3
InChIKeyCLGMVOWXWZDJFP-UHFFFAOYSA-N
XLogP2.73
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 126438159
(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 125177540
N-[1-(3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 72926714
(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 135104908
(2,4-dimethylpyrimidin-5-yl)-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 97142002
[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 96574836
(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 70727283
(2-cyclopropylpyrimidin-5-yl)-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
CID 72911490
(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164694949
1-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-N,N-diethylpiperidine-3-carboxamide
CID 77087302
(6-bromo-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone
CID 136585374
[3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
CID 70762011

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 72908166) is (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)methanone is CCC1CN(C(=O)c2nc3ccc(C)cn3c2F)CCN1C(C)C.
What is the InChIKey of (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is CLGMVOWXWZDJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-5-14-11-21(8-9-22(14)12(2)3)18(24)16-17(19)23-10-13(4)6-7-15(23)20-16/h6-7,10,12,14H,5,8-9,11H2,1-4H3.
What are the key properties of (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)methanone?
(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 332.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 72908166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).