[3-methyl-5-pyridin-4-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C26H28F3N5O2 — CID 25152680

IUPAC[3-methyl-5-pyridin-4-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCn1c(-c2cccc(OC(F)(F)F)c2)nc(-c2ccncc2)c1C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C26H28F3N5O2/c1-32-23(25(35)34-15-9-20(10-16-34)33-13-2-3-14-33)22(18-7-11-30-12-8-18)31-24(32)19-5-4-6-21(17-19)36-26(27,28)29/h4-8,11-12,17,20H,2-3,9-10,13-16H2,1H3
InChIKeyPPGQCNUZRUCUAS-UHFFFAOYSA-N
MW499.54 g/mol
LogP4.75
Rot. Bonds5

About [3-methyl-5-pyridin-4-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[3-methyl-5-pyridin-4-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 25152680) has the molecular formula C26H28F3N5O2 and a molecular weight of 499.54 g/mol. Its IUPAC name is [3-methyl-5-pyridin-4-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-methyl-5-pyridin-4-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID25152680
Molecular FormulaC26H28F3N5O2
Molecular Weight499.54 g/mol
Exact Mass499.22
IUPAC Name[3-methyl-5-pyridin-4-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCn1c(-c2cccc(OC(F)(F)F)c2)nc(-c2ccncc2)c1C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C26H28F3N5O2/c1-32-23(25(35)34-15-9-20(10-16-34)33-13-2-3-14-33)22(18-7-11-30-12-8-18)31-24(32)19-5-4-6-21(17-19)36-26(27,28)29/h4-8,11-12,17,20H,2-3,9-10,13-16H2,1H3
InChIKeyPPGQCNUZRUCUAS-UHFFFAOYSA-N
XLogP4.75
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.54
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-cyclopropyl-3-pyridin-4-yl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 25206417
[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-[5-iodo-3-methyl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]methanone
CID 25152682
(4-pyrrolidin-1-ylpiperidin-1-yl)-[3-[4-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]phenyl]methanone
CID 59983022
[1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 46190582
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
[6-(hydroxymethyl)-3-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 44547505
1,4-dimethyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 57441148
[5-chloro-3-methyl-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone
CID 67132961
1-methyl-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-6-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 150147324
(6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115497554
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
[6-(2-hydroxyethylamino)-3-methyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 44547500

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-pyridin-4-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [3-methyl-5-pyridin-4-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 25152680) is [3-methyl-5-pyridin-4-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-methyl-5-pyridin-4-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [3-methyl-5-pyridin-4-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is Cn1c(-c2cccc(OC(F)(F)F)c2)nc(-c2ccncc2)c1C(=O)N1CCC(N2CCCC2)CC1.
What is the InChIKey of [3-methyl-5-pyridin-4-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is PPGQCNUZRUCUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O2/c1-32-23(25(35)34-15-9-20(10-16-34)33-13-2-3-14-33)22(18-7-11-30-12-8-18)31-24(32)19-5-4-6-21(17-19)36-26(27,28)29/h4-8,11-12,17,20H,2-3,9-10,13-16H2,1H3.
What are the key properties of [3-methyl-5-pyridin-4-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[3-methyl-5-pyridin-4-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 499.54 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-pyridin-4-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 25152680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).