[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C25H28F3N5O2 — CID 45166623

IUPAC[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCC(n2c(C3CCCO3)nc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C25H28F3N5O2/c26-25(27,28)15-7-8-20-19(14-15)29-23(21-6-3-13-35-21)33(20)16-9-11-32(12-10-16)24(34)22-17-4-1-2-5-18(17)30-31-22/h7-8,14,16,21H,1-6,9-13H2,(H,30,31)
InChIKeyCHWVAUMGIKRXQI-UHFFFAOYSA-N
MW487.53 g/mol
LogP4.99
Rot. Bonds3

About [4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 45166623) has the molecular formula C25H28F3N5O2 and a molecular weight of 487.53 g/mol. Its IUPAC name is [4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID45166623
Molecular FormulaC25H28F3N5O2
Molecular Weight487.53 g/mol
Exact Mass487.22
IUPAC Name[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCC(n2c(C3CCCO3)nc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C25H28F3N5O2/c26-25(27,28)15-7-8-20-19(14-15)29-23(21-6-3-13-35-21)33(20)16-9-11-32(12-10-16)24(34)22-17-4-1-2-5-18(17)30-31-22/h7-8,14,16,21H,1-6,9-13H2,(H,30,31)
InChIKeyCHWVAUMGIKRXQI-UHFFFAOYSA-N
XLogP4.99
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-[(2R)-oxolan-2-yl]-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 42481971
2-(4-chloro-2-methylphenoxy)-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
CID 45181810
2-(4-chloro-2-methylphenoxy)-1-[4-[2-[(2R)-oxolan-2-yl]-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
CID 42170395
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
CID 45240203
(4-methyl-1,2,5-oxadiazol-3-yl)-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
CID 26362524
oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 134701735
[4-[3,5-bis(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
CID 118483485
(2-phenylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110629813
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 94936140
[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 42479114
[4-[2-(cyclopentylmethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 42209923
cyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
CID 1084752

Frequently Asked Questions

What is the IUPAC name of [4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of [4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 45166623) is [4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for [4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for [4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is O=C(c1n[nH]c2c1CCCC2)N1CCC(n2c(C3CCCO3)nc3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of [4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is CHWVAUMGIKRXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O2/c26-25(27,28)15-7-8-20-19(14-15)29-23(21-6-3-13-35-21)33(20)16-9-11-32(12-10-16)24(34)22-17-4-1-2-5-18(17)30-31-22/h7-8,14,16,21H,1-6,9-13H2,(H,30,31).
What are the key properties of [4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 487.53 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 45166623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).