7-[3-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine

C21H20F3N5 — CID 137371552

IUPAC7-[3-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
SMILESCC(C)(C)Cn1cc(-c2ccc(C(F)(F)F)nc2-c2ccn3ccnc3c2)cn1
InChIInChI=1S/C21H20F3N5/c1-20(2,3)13-29-12-15(11-26-29)16-4-5-17(21(22,23)24)27-19(16)14-6-8-28-9-7-25-18(28)10-14/h4-12H,13H2,1-3H3
InChIKeyWXGHGDWDLXEBTP-UHFFFAOYSA-N
MW399.42 g/mol
LogP5.32
Rot. Bonds3

About 7-[3-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine

7-[3-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine (PubChem CID 137371552) has the molecular formula C21H20F3N5 and a molecular weight of 399.42 g/mol. Its IUPAC name is 7-[3-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-[3-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
PubChem CID137371552
Molecular FormulaC21H20F3N5
Molecular Weight399.42 g/mol
Exact Mass399.17
IUPAC Name7-[3-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
SMILESCC(C)(C)Cn1cc(-c2ccc(C(F)(F)F)nc2-c2ccn3ccnc3c2)cn1
InChIInChI=1S/C21H20F3N5/c1-20(2,3)13-29-12-15(11-26-29)16-4-5-17(21(22,23)24)27-19(16)14-6-8-28-9-7-25-18(28)10-14/h4-12H,13H2,1-3H3
InChIKeyWXGHGDWDLXEBTP-UHFFFAOYSA-N
XLogP5.32
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.42
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-imidazo[1,2-a]pyridin-7-yl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374015
5-[1-[(2,2-difluoro-1-methylcyclopropyl)methyl]pyrazol-4-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137373899
7-[3-[1-(2-cyclopropyl-2-fluoroethyl)pyrazol-4-yl]-6-isocyano-2-pyridinyl]imidazo[1,2-a]pyridine
CID 162491029
6-(2-methylimidazo[1,2-a]pyridin-7-yl)-5-[1-(4,4,4-trifluoro-2,2-dimethylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137373960
2-methyl-7-[3-[1-(2,3,3,3-tetrafluoropropyl)pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine
CID 137374017
5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylbenzotriazol-5-yl)pyridine-2-carbonitrile
CID 137373863
6-(2H-benzotriazol-5-yl)-5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137371521
1-(2,2-dimethylpropyl)-4-phenylpyrazole
CID 149052021
7-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyridine
CID 121014694
5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carbonitrile
CID 137374338
5-[1-(2,2-difluoro-3-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
CID 151465416
3,3-difluoro-4-[4-(6-isocyano-2-quinolin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylbutan-2-ol
CID 162502564

Frequently Asked Questions

What is the IUPAC name of 7-[3-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine?
The IUPAC name of 7-[3-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine (CID 137371552) is 7-[3-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-[3-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 7-[3-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine is CC(C)(C)Cn1cc(-c2ccc(C(F)(F)F)nc2-c2ccn3ccnc3c2)cn1.
What is the InChIKey of 7-[3-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine?
The InChIKey is WXGHGDWDLXEBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5/c1-20(2,3)13-29-12-15(11-26-29)16-4-5-17(21(22,23)24)27-19(16)14-6-8-28-9-7-25-18(28)10-14/h4-12H,13H2,1-3H3.
What are the key properties of 7-[3-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine?
7-[3-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine has a molecular weight of 399.42 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 137371552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).