1-(6-cyclopropyl-2-methyl-3-propyl-4-pyridinyl)-3,3-dimethylpiperazine;6-ethyl-7-fluoro-2,8-dimethylimidazo[1,2-a]pyridine;pentan-2-one

C34H52FN5O — CID 177040099

IUPAC1-(6-cyclopropyl-2-methyl-3-propyl-4-pyridinyl)-3,3-dimethylpiperazine;6-ethyl-7-fluoro-2,8-dimethylimidazo[1,2-a]pyridine;pentan-2-one
SMILESCCCC(C)=O.CCCc1c(N2CCNC(C)(C)C2)cc(C2CC2)nc1C.CCc1cn2cc(C)nc2c(C)c1F
InChIInChI=1S/C18H29N3.C11H13FN2.C5H10O/c1-5-6-15-13(2)20-16(14-7-8-14)11-17(15)21-10-9-19-18(3,4)12-21;1-4-9-6-14-5-7(2)13-11(14)8(3)10(9)12;1-3-4-5(2)6/h11,14,19H,5-10,12H2,1-4H3;5-6H,4H2,1-3H3;3-4H2,1-2H3
InChIKeyYORVRDFYRNKAMT-UHFFFAOYSA-N
MW565.82 g/mol
LogP7.44
Rot. Bonds7

About 1-(6-cyclopropyl-2-methyl-3-propyl-4-pyridinyl)-3,3-dimethylpiperazine;6-ethyl-7-fluoro-2,8-dimethylimidazo[1,2-a]pyridine;pentan-2-one

1-(6-cyclopropyl-2-methyl-3-propyl-4-pyridinyl)-3,3-dimethylpiperazine;6-ethyl-7-fluoro-2,8-dimethylimidazo[1,2-a]pyridine;pentan-2-one (PubChem CID 177040099) has the molecular formula C34H52FN5O and a molecular weight of 565.82 g/mol. Its IUPAC name is 1-(6-cyclopropyl-2-methyl-3-propyl-4-pyridinyl)-3,3-dimethylpiperazine;6-ethyl-7-fluoro-2,8-dimethylimidazo[1,2-a]pyridine;pentan-2-one.

Molecular Properties

Compound Name1-(6-cyclopropyl-2-methyl-3-propyl-4-pyridinyl)-3,3-dimethylpiperazine;6-ethyl-7-fluoro-2,8-dimethylimidazo[1,2-a]pyridine;pentan-2-one
PubChem CID177040099
Molecular FormulaC34H52FN5O
Molecular Weight565.82 g/mol
Exact Mass565.42
IUPAC Name1-(6-cyclopropyl-2-methyl-3-propyl-4-pyridinyl)-3,3-dimethylpiperazine;6-ethyl-7-fluoro-2,8-dimethylimidazo[1,2-a]pyridine;pentan-2-one
SMILESCCCC(C)=O.CCCc1c(N2CCNC(C)(C)C2)cc(C2CC2)nc1C.CCc1cn2cc(C)nc2c(C)c1F
InChIInChI=1S/C18H29N3.C11H13FN2.C5H10O/c1-5-6-15-13(2)20-16(14-7-8-14)11-17(15)21-10-9-19-18(3,4)12-21;1-4-9-6-14-5-7(2)13-11(14)8(3)10(9)12;1-3-4-5(2)6/h11,14,19H,5-10,12H2,1-4H3;5-6H,4H2,1-3H3;3-4H2,1-2H3
InChIKeyYORVRDFYRNKAMT-UHFFFAOYSA-N
XLogP7.44
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.82
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropyl-2-methyl-3-propyl-4-pyridinyl)-3,3-dimethylpiperazine;6-ethyl-7-fluoro-2,8-dimethylimidazo[1,2-a]pyridine;pentan-2-one?
The IUPAC name of 1-(6-cyclopropyl-2-methyl-3-propyl-4-pyridinyl)-3,3-dimethylpiperazine;6-ethyl-7-fluoro-2,8-dimethylimidazo[1,2-a]pyridine;pentan-2-one (CID 177040099) is 1-(6-cyclopropyl-2-methyl-3-propyl-4-pyridinyl)-3,3-dimethylpiperazine;6-ethyl-7-fluoro-2,8-dimethylimidazo[1,2-a]pyridine;pentan-2-one.
What is the SMILES notation for 1-(6-cyclopropyl-2-methyl-3-propyl-4-pyridinyl)-3,3-dimethylpiperazine;6-ethyl-7-fluoro-2,8-dimethylimidazo[1,2-a]pyridine;pentan-2-one?
The canonical SMILES for 1-(6-cyclopropyl-2-methyl-3-propyl-4-pyridinyl)-3,3-dimethylpiperazine;6-ethyl-7-fluoro-2,8-dimethylimidazo[1,2-a]pyridine;pentan-2-one is CCCC(C)=O.CCCc1c(N2CCNC(C)(C)C2)cc(C2CC2)nc1C.CCc1cn2cc(C)nc2c(C)c1F.
What is the InChIKey of 1-(6-cyclopropyl-2-methyl-3-propyl-4-pyridinyl)-3,3-dimethylpiperazine;6-ethyl-7-fluoro-2,8-dimethylimidazo[1,2-a]pyridine;pentan-2-one?
The InChIKey is YORVRDFYRNKAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3.C11H13FN2.C5H10O/c1-5-6-15-13(2)20-16(14-7-8-14)11-17(15)21-10-9-19-18(3,4)12-21;1-4-9-6-14-5-7(2)13-11(14)8(3)10(9)12;1-3-4-5(2)6/h11,14,19H,5-10,12H2,1-4H3;5-6H,4H2,1-3H3;3-4H2,1-2H3.
What are the key properties of 1-(6-cyclopropyl-2-methyl-3-propyl-4-pyridinyl)-3,3-dimethylpiperazine;6-ethyl-7-fluoro-2,8-dimethylimidazo[1,2-a]pyridine;pentan-2-one?
1-(6-cyclopropyl-2-methyl-3-propyl-4-pyridinyl)-3,3-dimethylpiperazine;6-ethyl-7-fluoro-2,8-dimethylimidazo[1,2-a]pyridine;pentan-2-one has a molecular weight of 565.82 g/mol, XLogP of 7.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropyl-2-methyl-3-propyl-4-pyridinyl)-3,3-dimethylpiperazine;6-ethyl-7-fluoro-2,8-dimethylimidazo[1,2-a]pyridine;pentan-2-one is sourced from PubChem (CID 177040099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).