2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide

C16H14ClF2N5O2 — CID 155387055

IUPAC2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ncc2ncc(-c3ccc(Cl)c(OC(F)F)c3)nc21
InChIInChI=1S/C16H14ClF2N5O2/c1-23(2)14(25)8-24-15-12(7-21-24)20-6-11(22-15)9-3-4-10(17)13(5-9)26-16(18)19/h3-7,16H,8H2,1-2H3
InChIKeyDUVBQXRHTBPQOW-UHFFFAOYSA-N
MW381.77 g/mol
LogP2.84
Rot. Bonds5

About 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide

2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide (PubChem CID 155387055) has the molecular formula C16H14ClF2N5O2 and a molecular weight of 381.77 g/mol. Its IUPAC name is 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide
PubChem CID155387055
Molecular FormulaC16H14ClF2N5O2
Molecular Weight381.77 g/mol
Exact Mass381.08
IUPAC Name2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ncc2ncc(-c3ccc(Cl)c(OC(F)F)c3)nc21
InChIInChI=1S/C16H14ClF2N5O2/c1-23(2)14(25)8-24-15-12(7-21-24)20-6-11(22-15)9-3-4-10(17)13(5-9)26-16(18)19/h3-7,16H,8H2,1-2H3
InChIKeyDUVBQXRHTBPQOW-UHFFFAOYSA-N
XLogP2.84
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.77
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide (CID 155387055) is 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1ncc2ncc(-c3ccc(Cl)c(OC(F)F)c3)nc21.
What is the InChIKey of 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is DUVBQXRHTBPQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N5O2/c1-23(2)14(25)8-24-15-12(7-21-24)20-6-11(22-15)9-3-4-10(17)13(5-9)26-16(18)19/h3-7,16H,8H2,1-2H3.
What are the key properties of 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide?
2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 381.77 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 155387055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).