2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine

C26H29F3N6 — CID 136510199

IUPAC2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine
SMILESCn1nc(C(C)(C)C)cc1-c1nc2c(N3CCCCC3)nc(-c3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C26H29F3N6/c1-25(2,3)21-15-20(34(4)33-21)23-30-19-14-18(16-10-6-7-11-17(16)26(27,28)29)31-24(22(19)32-23)35-12-8-5-9-13-35/h6-7,10-11,14-15H,5,8-9,12-13H2,1-4H3,(H,30,32)
InChIKeyMLHRYZBQZYZLJP-UHFFFAOYSA-N
MW482.55 g/mol
LogP6.33
Rot. Bonds3

About 2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine

2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine (PubChem CID 136510199) has the molecular formula C26H29F3N6 and a molecular weight of 482.55 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine
PubChem CID136510199
Molecular FormulaC26H29F3N6
Molecular Weight482.55 g/mol
Exact Mass482.24
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine
SMILESCn1nc(C(C)(C)C)cc1-c1nc2c(N3CCCCC3)nc(-c3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C26H29F3N6/c1-25(2,3)21-15-20(34(4)33-21)23-30-19-14-18(16-10-6-7-11-17(16)26(27,28)29)31-24(22(19)32-23)35-12-8-5-9-13-35/h6-7,10-11,14-15H,5,8-9,12-13H2,1-4H3,(H,30,32)
InChIKeyMLHRYZBQZYZLJP-UHFFFAOYSA-N
XLogP6.33
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.55
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine (CID 136510199) is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine is Cn1nc(C(C)(C)C)cc1-c1nc2c(N3CCCCC3)nc(-c3ccccc3C(F)(F)F)cc2[nH]1.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is MLHRYZBQZYZLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N6/c1-25(2,3)21-15-20(34(4)33-21)23-30-19-14-18(16-10-6-7-11-17(16)26(27,28)29)31-24(22(19)32-23)35-12-8-5-9-13-35/h6-7,10-11,14-15H,5,8-9,12-13H2,1-4H3,(H,30,32).
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine?
2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 482.55 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136510199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).