[3-tert-butyl-3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone

C18H26F3N3O2 — CID 154847875

IUPAC[3-tert-butyl-3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
SMILESCC(C)(C)C1(CO)CCN(C(=O)c2nc(C(F)(F)F)n3c2CCCC3)C1
InChIInChI=1S/C18H26F3N3O2/c1-16(2,3)17(11-25)7-9-23(10-17)14(26)13-12-6-4-5-8-24(12)15(22-13)18(19,20)21/h25H,4-11H2,1-3H3
InChIKeyLNFXAMFRPMMZKS-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.11
Rot. Bonds2

About [3-tert-butyl-3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone

[3-tert-butyl-3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone (PubChem CID 154847875) has the molecular formula C18H26F3N3O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is [3-tert-butyl-3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone.

Molecular Properties

Compound Name[3-tert-butyl-3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
PubChem CID154847875
Molecular FormulaC18H26F3N3O2
Molecular Weight373.42 g/mol
Exact Mass373.20
IUPAC Name[3-tert-butyl-3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
SMILESCC(C)(C)C1(CO)CCN(C(=O)c2nc(C(F)(F)F)n3c2CCCC3)C1
InChIInChI=1S/C18H26F3N3O2/c1-16(2,3)17(11-25)7-9-23(10-17)14(26)13-12-6-4-5-8-24(12)15(22-13)18(19,20)21/h25H,4-11H2,1-3H3
InChIKeyLNFXAMFRPMMZKS-UHFFFAOYSA-N
XLogP3.11
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
The IUPAC name of [3-tert-butyl-3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone (CID 154847875) is [3-tert-butyl-3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone.
What is the SMILES notation for [3-tert-butyl-3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
The canonical SMILES for [3-tert-butyl-3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone is CC(C)(C)C1(CO)CCN(C(=O)c2nc(C(F)(F)F)n3c2CCCC3)C1.
What is the InChIKey of [3-tert-butyl-3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
The InChIKey is LNFXAMFRPMMZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O2/c1-16(2,3)17(11-25)7-9-23(10-17)14(26)13-12-6-4-5-8-24(12)15(22-13)18(19,20)21/h25H,4-11H2,1-3H3.
What are the key properties of [3-tert-butyl-3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
[3-tert-butyl-3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone has a molecular weight of 373.42 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone is sourced from PubChem (CID 154847875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).