(4,4-difluoropiperidin-1-yl)-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanone

C15H18F2N4O — CID 129013522

IUPAC(4,4-difluoropiperidin-1-yl)-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanone
SMILESCC(C)c1cnc2[nH]cc(C(=O)N3CCC(F)(F)CC3)c2n1
InChIInChI=1S/C15H18F2N4O/c1-9(2)11-8-19-13-12(20-11)10(7-18-13)14(22)21-5-3-15(16,17)4-6-21/h7-9H,3-6H2,1-2H3,(H,18,19)
InChIKeyWVYPDQCUNHVIBE-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.95
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanone

(4,4-difluoropiperidin-1-yl)-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanone (PubChem CID 129013522) has the molecular formula C15H18F2N4O and a molecular weight of 308.33 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanone
PubChem CID129013522
Molecular FormulaC15H18F2N4O
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name(4,4-difluoropiperidin-1-yl)-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanone
SMILESCC(C)c1cnc2[nH]cc(C(=O)N3CCC(F)(F)CC3)c2n1
InChIInChI=1S/C15H18F2N4O/c1-9(2)11-8-19-13-12(20-11)10(7-18-13)14(22)21-5-3-15(16,17)4-6-21/h7-9H,3-6H2,1-2H3,(H,18,19)
InChIKeyWVYPDQCUNHVIBE-UHFFFAOYSA-N
XLogP2.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-cyclopropyl-1-(4,4-difluoropiperidin-1-yl)ethanone;2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 171923996
(4,4-difluoropiperidin-1-yl)-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone
CID 176856787
(4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121184594
(4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone
CID 58290377
(8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 154667126
(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 77094058
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561
2-prop-1-en-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 89453189
2,2-dimethyl-1-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one
CID 143854115
2-[(4-methyl-1-prop-2-enoylpiperidin-4-yl)amino]-N-(4,4,4-trifluoro-2-methylbutyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122673805
(4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone
CID 168987947
1-(2-amino-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one
CID 67371590

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanone (CID 129013522) is (4,4-difluoropiperidin-1-yl)-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanone is CC(C)c1cnc2[nH]cc(C(=O)N3CCC(F)(F)CC3)c2n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanone?
The InChIKey is WVYPDQCUNHVIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O/c1-9(2)11-8-19-13-12(20-11)10(7-18-13)14(22)21-5-3-15(16,17)4-6-21/h7-9H,3-6H2,1-2H3,(H,18,19).
What are the key properties of (4,4-difluoropiperidin-1-yl)-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanone has a molecular weight of 308.33 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)methanone is sourced from PubChem (CID 129013522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).