(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

C14H9Br2F3N6O — CID 166398657

IUPAC(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESO=C(c1ncnc2[nH]cc(Br)c12)N1CCn2c(C(F)(F)F)nc(Br)c2C1
InChIInChI=1S/C14H9Br2F3N6O/c15-6-3-20-11-8(6)9(21-5-22-11)12(26)24-1-2-25-7(4-24)10(16)23-13(25)14(17,18)19/h3,5H,1-2,4H2,(H,20,21,22)
InChIKeyJSTHTBFVPLOWCV-UHFFFAOYSA-N
MW494.07 g/mol
LogP3.35
Rot. Bonds1

About (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 166398657) has the molecular formula C14H9Br2F3N6O and a molecular weight of 494.07 g/mol. Its IUPAC name is (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID166398657
Molecular FormulaC14H9Br2F3N6O
Molecular Weight494.07 g/mol
Exact Mass491.92
IUPAC Name(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESO=C(c1ncnc2[nH]cc(Br)c12)N1CCn2c(C(F)(F)F)nc(Br)c2C1
InChIInChI=1S/C14H9Br2F3N6O/c15-6-3-20-11-8(6)9(21-5-22-11)12(26)24-1-2-25-7(4-24)10(16)23-13(25)14(17,18)19/h3,5H,1-2,4H2,(H,20,21,22)
InChIKeyJSTHTBFVPLOWCV-UHFFFAOYSA-N
XLogP3.35
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.07
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-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

N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-methylpicolinamide
CID 60205383
N-[4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 60205404
N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)picolinamide
CID 60205405
N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)picolinamide
CID 60205498
(R)-N-(4-(3-aminopiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl) picolinamide
CID 67045085
2-[2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-propylpurin-9-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 140214402
2-[2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-[2-(dimethylamino)ethyl]purin-9-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 140214407
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 150016398
N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,4-dimethylpyridine-2-carboxamide
CID 151096183
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166009039
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 167142259
2-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 175893388

Frequently Asked Questions

What is the IUPAC name of (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 166398657) is (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is O=C(c1ncnc2[nH]cc(Br)c12)N1CCn2c(C(F)(F)F)nc(Br)c2C1.
What is the InChIKey of (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is JSTHTBFVPLOWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2F3N6O/c15-6-3-20-11-8(6)9(21-5-22-11)12(26)24-1-2-25-7(4-24)10(16)23-13(25)14(17,18)19/h3,5H,1-2,4H2,(H,20,21,22).
What are the key properties of (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 494.07 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 166398657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).