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

C25H27F3N6O2 — CID 25113643

IUPAC[3-methyl-5-pyrimidin-5-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCn1c(-c2cccc(OC(F)(F)F)c2)nc(-c2cncnc2)c1C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C25H27F3N6O2/c1-32-22(24(35)34-11-7-19(8-12-34)33-9-2-3-10-33)21(18-14-29-16-30-15-18)31-23(32)17-5-4-6-20(13-17)36-25(26,27)28/h4-6,13-16,19H,2-3,7-12H2,1H3
InChIKeyNGJHAGDXEQJFAO-UHFFFAOYSA-N
MW500.53 g/mol
LogP4.14
Rot. Bonds5

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

[3-methyl-5-pyrimidin-5-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 25113643) has the molecular formula C25H27F3N6O2 and a molecular weight of 500.53 g/mol. Its IUPAC name is [3-methyl-5-pyrimidin-5-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-methyl-5-pyrimidin-5-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID25113643
Molecular FormulaC25H27F3N6O2
Molecular Weight500.53 g/mol
Exact Mass500.21
IUPAC Name[3-methyl-5-pyrimidin-5-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCn1c(-c2cccc(OC(F)(F)F)c2)nc(-c2cncnc2)c1C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C25H27F3N6O2/c1-32-22(24(35)34-11-7-19(8-12-34)33-9-2-3-10-33)21(18-14-29-16-30-15-18)31-23(32)17-5-4-6-20(13-17)36-25(26,27)28/h4-6,13-16,19H,2-3,7-12H2,1H3
InChIKeyNGJHAGDXEQJFAO-UHFFFAOYSA-N
XLogP4.14
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-pyrimidin-5-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [3-methyl-5-pyrimidin-5-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 25113643) is [3-methyl-5-pyrimidin-5-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-methyl-5-pyrimidin-5-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [3-methyl-5-pyrimidin-5-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is Cn1c(-c2cccc(OC(F)(F)F)c2)nc(-c2cncnc2)c1C(=O)N1CCC(N2CCCC2)CC1.
What is the InChIKey of [3-methyl-5-pyrimidin-5-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is NGJHAGDXEQJFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N6O2/c1-32-22(24(35)34-11-7-19(8-12-34)33-9-2-3-10-33)21(18-14-29-16-30-15-18)31-23(32)17-5-4-6-20(13-17)36-25(26,27)28/h4-6,13-16,19H,2-3,7-12H2,1H3.
What are the key properties of [3-methyl-5-pyrimidin-5-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[3-methyl-5-pyrimidin-5-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 500.53 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-pyrimidin-5-yl-2-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 25113643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).