[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone

C24H25FN6O — CID 112808205

IUPAC[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
SMILESCc1ccn2c(CN3CCN(C(=O)c4cn[nH]c4-c4ccc(F)cc4)CC3)c(C)nc2c1
InChIInChI=1S/C24H25FN6O/c1-16-7-8-31-21(17(2)27-22(31)13-16)15-29-9-11-30(12-10-29)24(32)20-14-26-28-23(20)18-3-5-19(25)6-4-18/h3-8,13-14H,9-12,15H2,1-2H3,(H,26,28)
InChIKeyUNZUFVNOSSTGBQ-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.44
Rot. Bonds4

About [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone

[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone (PubChem CID 112808205) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
PubChem CID112808205
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
SMILESCc1ccn2c(CN3CCN(C(=O)c4cn[nH]c4-c4ccc(F)cc4)CC3)c(C)nc2c1
InChIInChI=1S/C24H25FN6O/c1-16-7-8-31-21(17(2)27-22(31)13-16)15-29-9-11-30(12-10-29)24(32)20-14-26-28-23(20)18-3-5-19(25)6-4-18/h3-8,13-14H,9-12,15H2,1-2H3,(H,26,28)
InChIKeyUNZUFVNOSSTGBQ-UHFFFAOYSA-N
XLogP3.44
TPSA69.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone
CID 112822053
(5-bromo-2-fluorophenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
CID 112770952
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-2-pyrrolidin-1-ylphenyl)methanone
CID 75421319
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 112770860
(5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
CID 112770870
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 112770934
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 55465377
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 112808087
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 112771925
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone
CID 112822593
2-(4-bromophenyl)-1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone
CID 112770886
1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
CID 112806577

Frequently Asked Questions

What is the IUPAC name of [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone (CID 112808205) is [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone is Cc1ccn2c(CN3CCN(C(=O)c4cn[nH]c4-c4ccc(F)cc4)CC3)c(C)nc2c1.
What is the InChIKey of [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone?
The InChIKey is UNZUFVNOSSTGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-16-7-8-31-21(17(2)27-22(31)13-16)15-29-9-11-30(12-10-29)24(32)20-14-26-28-23(20)18-3-5-19(25)6-4-18/h3-8,13-14H,9-12,15H2,1-2H3,(H,26,28).
What are the key properties of [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone?
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone has a molecular weight of 432.50 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 112808205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).