2-[3-[(2R)-1-(4H-pyrazol-3-yl)propan-2-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C20H17F3N4O — CID 167186487

IUPAC2-[3-[(2R)-1-(4H-pyrazol-3-yl)propan-2-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESC[C@H](CC1=NN=CC1)c1cccc(-n2cc3c(C(F)(F)F)cccn3c2=O)c1
InChIInChI=1S/C20H17F3N4O/c1-13(10-15-7-8-24-25-15)14-4-2-5-16(11-14)27-12-18-17(20(21,22)23)6-3-9-26(18)19(27)28/h2-6,8-9,11-13H,7,10H2,1H3/t13-/m1/s1
InChIKeyNLRNCUXEROFIST-CYBMUJFWSA-N
MW386.38 g/mol
LogP4.43
Rot. Bonds4

About 2-[3-[(2R)-1-(4H-pyrazol-3-yl)propan-2-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

2-[3-[(2R)-1-(4H-pyrazol-3-yl)propan-2-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 167186487) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 2-[3-[(2R)-1-(4H-pyrazol-3-yl)propan-2-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[(2R)-1-(4H-pyrazol-3-yl)propan-2-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID167186487
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name2-[3-[(2R)-1-(4H-pyrazol-3-yl)propan-2-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESC[C@H](CC1=NN=CC1)c1cccc(-n2cc3c(C(F)(F)F)cccn3c2=O)c1
InChIInChI=1S/C20H17F3N4O/c1-13(10-15-7-8-24-25-15)14-4-2-5-16(11-14)27-12-18-17(20(21,22)23)6-3-9-26(18)19(27)28/h2-6,8-9,11-13H,7,10H2,1H3/t13-/m1/s1
InChIKeyNLRNCUXEROFIST-CYBMUJFWSA-N
XLogP4.43
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R)-1-(4H-pyrazol-3-yl)propan-2-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2-[3-[(2R)-1-(4H-pyrazol-3-yl)propan-2-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 167186487) is 2-[3-[(2R)-1-(4H-pyrazol-3-yl)propan-2-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 2-[3-[(2R)-1-(4H-pyrazol-3-yl)propan-2-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2-[3-[(2R)-1-(4H-pyrazol-3-yl)propan-2-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is C[C@H](CC1=NN=CC1)c1cccc(-n2cc3c(C(F)(F)F)cccn3c2=O)c1.
What is the InChIKey of 2-[3-[(2R)-1-(4H-pyrazol-3-yl)propan-2-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is NLRNCUXEROFIST-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-13(10-15-7-8-24-25-15)14-4-2-5-16(11-14)27-12-18-17(20(21,22)23)6-3-9-26(18)19(27)28/h2-6,8-9,11-13H,7,10H2,1H3/t13-/m1/s1.
What are the key properties of 2-[3-[(2R)-1-(4H-pyrazol-3-yl)propan-2-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
2-[3-[(2R)-1-(4H-pyrazol-3-yl)propan-2-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 386.38 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2R)-1-(4H-pyrazol-3-yl)propan-2-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 167186487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).