N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)butanamide;2-methyl-4-piperidin-4-yl-3-propylpyridine

C26H36FN5O — CID 177040535

IUPACN-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)butanamide;2-methyl-4-piperidin-4-yl-3-propylpyridine
SMILESCCCC(=O)Nc1cn2cc(C)nc2cc1F.CCCc1c(C2CCNCC2)ccnc1C
InChIInChI=1S/C14H22N2.C12H14FN3O/c1-3-4-13-11(2)16-10-7-14(13)12-5-8-15-9-6-12;1-3-4-12(17)15-10-7-16-6-8(2)14-11(16)5-9(10)13/h7,10,12,15H,3-6,8-9H2,1-2H3;5-7H,3-4H2,1-2H3,(H,15,17)
InChIKeyUCWYCPSCYOZHLZ-UHFFFAOYSA-N
MW453.61 g/mol
LogP5.33
Rot. Bonds6

About N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)butanamide;2-methyl-4-piperidin-4-yl-3-propylpyridine

N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)butanamide;2-methyl-4-piperidin-4-yl-3-propylpyridine (PubChem CID 177040535) has the molecular formula C26H36FN5O and a molecular weight of 453.61 g/mol. Its IUPAC name is N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)butanamide;2-methyl-4-piperidin-4-yl-3-propylpyridine.

Molecular Properties

Compound NameN-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)butanamide;2-methyl-4-piperidin-4-yl-3-propylpyridine
PubChem CID177040535
Molecular FormulaC26H36FN5O
Molecular Weight453.61 g/mol
Exact Mass453.29
IUPAC NameN-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)butanamide;2-methyl-4-piperidin-4-yl-3-propylpyridine
SMILESCCCC(=O)Nc1cn2cc(C)nc2cc1F.CCCc1c(C2CCNCC2)ccnc1C
InChIInChI=1S/C14H22N2.C12H14FN3O/c1-3-4-13-11(2)16-10-7-14(13)12-5-8-15-9-6-12;1-3-4-12(17)15-10-7-16-6-8(2)14-11(16)5-9(10)13/h7,10,12,15H,3-6,8-9H2,1-2H3;5-7H,3-4H2,1-2H3,(H,15,17)
InChIKeyUCWYCPSCYOZHLZ-UHFFFAOYSA-N
XLogP5.33
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.61
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)butanamide;2-methyl-4-piperidin-4-yl-3-propylpyridine?
The IUPAC name of N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)butanamide;2-methyl-4-piperidin-4-yl-3-propylpyridine (CID 177040535) is N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)butanamide;2-methyl-4-piperidin-4-yl-3-propylpyridine.
What is the SMILES notation for N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)butanamide;2-methyl-4-piperidin-4-yl-3-propylpyridine?
The canonical SMILES for N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)butanamide;2-methyl-4-piperidin-4-yl-3-propylpyridine is CCCC(=O)Nc1cn2cc(C)nc2cc1F.CCCc1c(C2CCNCC2)ccnc1C.
What is the InChIKey of N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)butanamide;2-methyl-4-piperidin-4-yl-3-propylpyridine?
The InChIKey is UCWYCPSCYOZHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C12H14FN3O/c1-3-4-13-11(2)16-10-7-14(13)12-5-8-15-9-6-12;1-3-4-12(17)15-10-7-16-6-8(2)14-11(16)5-9(10)13/h7,10,12,15H,3-6,8-9H2,1-2H3;5-7H,3-4H2,1-2H3,(H,15,17).
What are the key properties of N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)butanamide;2-methyl-4-piperidin-4-yl-3-propylpyridine?
N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)butanamide;2-methyl-4-piperidin-4-yl-3-propylpyridine has a molecular weight of 453.61 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)butanamide;2-methyl-4-piperidin-4-yl-3-propylpyridine is sourced from PubChem (CID 177040535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).