1-[2-(2-fluoroanilino)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one

C17H17FN4O — CID 141348256

IUPAC1-[2-(2-fluoroanilino)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccccc3F)nc12
InChIInChI=1S/C17H17FN4O/c1-17(2,3)15(23)10-8-19-16-14(10)22-13(9-20-16)21-12-7-5-4-6-11(12)18/h4-9H,1-3H3,(H,19,20)(H,21,22)
InChIKeyMZRRXPOPAQUNBX-UHFFFAOYSA-N
MW312.35 g/mol
LogP4.07
Rot. Bonds3

About 1-[2-(2-fluoroanilino)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one

1-[2-(2-fluoroanilino)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one (PubChem CID 141348256) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 1-[2-(2-fluoroanilino)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-(2-fluoroanilino)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
PubChem CID141348256
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name1-[2-(2-fluoroanilino)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccccc3F)nc12
InChIInChI=1S/C17H17FN4O/c1-17(2,3)15(23)10-8-19-16-14(10)22-13(9-20-16)21-12-7-5-4-6-11(12)18/h4-9H,1-3H3,(H,19,20)(H,21,22)
InChIKeyMZRRXPOPAQUNBX-UHFFFAOYSA-N
XLogP4.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-fluoroanilino)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

Idelalisib
CID 11625818
Acalisib
CID 11618268
6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538774
6-(4-fluorophenyl)-N-[2-[methyl(propan-2-yl)amino]-3H-benzimidazol-5-yl]pyridine-3-carboxamide
CID 9978508
2,6-Difluoro-N-(1h-Imidazo[4,5-B]pyridin-6-Yl)-3-[(Propylsulfonyl)amino]benzamide
CID 44199417
N-Tert-Butyl-2-(5,6,7,8-Tetrahydroimidazo[1,5-A]pyridin-1-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 71280008
1-[2,4-dimethyl-5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone
CID 155809080
N-butyl-3-((6-(9H-purin-6-ylamino)hexanoyl)amino)benzamide
CID 24893974
(E)-2-cyano-3-[4-[[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]phenyl]-N,N-dimethylprop-2-enamide
CID 71014325
(S)-2-(1-(9H-Purin-6-ylamino)ethyl)-5-fluoro-3-phenylquinazolin-4(3H)-one
CID 118044236
6-fluoro-3-[5-(pyridine-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
CID 135980540
6-fluoro-3-[5-(pyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
CID 135980544

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoroanilino)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-(2-fluoroanilino)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one (CID 141348256) is 1-[2-(2-fluoroanilino)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-(2-fluoroanilino)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-(2-fluoroanilino)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1c[nH]c2ncc(Nc3ccccc3F)nc12.
What is the InChIKey of 1-[2-(2-fluoroanilino)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?
The InChIKey is MZRRXPOPAQUNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-17(2,3)15(23)10-8-19-16-14(10)22-13(9-20-16)21-12-7-5-4-6-11(12)18/h4-9H,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 1-[2-(2-fluoroanilino)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one?
1-[2-(2-fluoroanilino)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one has a molecular weight of 312.35 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoroanilino)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 141348256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).