[(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-methylidyneazanium

C12H13F2N4+ — CID 171517584

IUPAC[(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-methylidyneazanium
SMILESC#[N+][C@H](C)c1cc2cnn(CC(C)(F)F)c2cn1
InChIInChI=1S/C12H13F2N4/c1-8(15-3)10-4-9-5-17-18(7-12(2,13)14)11(9)6-16-10/h3-6,8H,7H2,1-2H3/q+1/t8-/m1/s1
InChIKeyVRWALLMHVKMNAZ-MRVPVSSYSA-N
MW251.26 g/mol
LogP3.11
Rot. Bonds3

About [(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-methylidyneazanium

[(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-methylidyneazanium (PubChem CID 171517584) has the molecular formula C12H13F2N4+ and a molecular weight of 251.26 g/mol. Its IUPAC name is [(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-methylidyneazanium.

Molecular Properties

Compound Name[(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-methylidyneazanium
PubChem CID171517584
Molecular FormulaC12H13F2N4+
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name[(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-methylidyneazanium
SMILESC#[N+][C@H](C)c1cc2cnn(CC(C)(F)F)c2cn1
InChIInChI=1S/C12H13F2N4/c1-8(15-3)10-4-9-5-17-18(7-12(2,13)14)11(9)6-16-10/h3-6,8H,7H2,1-2H3/q+1/t8-/m1/s1
InChIKeyVRWALLMHVKMNAZ-MRVPVSSYSA-N
XLogP3.11
TPSA35.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-methylidyneazanium?
The IUPAC name of [(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-methylidyneazanium (CID 171517584) is [(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-methylidyneazanium.
What is the SMILES notation for [(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-methylidyneazanium?
The canonical SMILES for [(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-methylidyneazanium is C#[N+][C@H](C)c1cc2cnn(CC(C)(F)F)c2cn1.
What is the InChIKey of [(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-methylidyneazanium?
The InChIKey is VRWALLMHVKMNAZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13F2N4/c1-8(15-3)10-4-9-5-17-18(7-12(2,13)14)11(9)6-16-10/h3-6,8H,7H2,1-2H3/q+1/t8-/m1/s1.
What are the key properties of [(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-methylidyneazanium?
[(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-methylidyneazanium has a molecular weight of 251.26 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-methylidyneazanium is sourced from PubChem (CID 171517584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).