N-[3-[dideuterio(fluoro)methyl]sulfanyl-4-fluorophenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C13H10F2N4S — CID 164738398

IUPACN-[3-[dideuterio(fluoro)methyl]sulfanyl-4-fluorophenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILES[2H]C([2H])(F)Sc1cc(Nc2n[nH]c3cccnc23)ccc1F
InChIInChI=1S/C13H10F2N4S/c14-7-20-11-6-8(3-4-9(11)15)17-13-12-10(18-19-13)2-1-5-16-12/h1-6H,7H2,(H2,17,18,19)/i7D2
InChIKeyZDMOJXZIHXIQMF-RJSZUWSASA-N
MW294.33 g/mol
LogP3.86
Rot. Bonds4

About N-[3-[dideuterio(fluoro)methyl]sulfanyl-4-fluorophenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[3-[dideuterio(fluoro)methyl]sulfanyl-4-fluorophenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 164738398) has the molecular formula C13H10F2N4S and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[3-[dideuterio(fluoro)methyl]sulfanyl-4-fluorophenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-[dideuterio(fluoro)methyl]sulfanyl-4-fluorophenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID164738398
Molecular FormulaC13H10F2N4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC NameN-[3-[dideuterio(fluoro)methyl]sulfanyl-4-fluorophenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILES[2H]C([2H])(F)Sc1cc(Nc2n[nH]c3cccnc23)ccc1F
InChIInChI=1S/C13H10F2N4S/c14-7-20-11-6-8(3-4-9(11)15)17-13-12-10(18-19-13)2-1-5-16-12/h1-6H,7H2,(H2,17,18,19)/i7D2
InChIKeyZDMOJXZIHXIQMF-RJSZUWSASA-N
XLogP3.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[dideuterio(fluoro)methyl]sulfanyl-4-fluorophenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[3-[dideuterio(fluoro)methyl]sulfanyl-4-fluorophenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 164738398) is N-[3-[dideuterio(fluoro)methyl]sulfanyl-4-fluorophenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[3-[dideuterio(fluoro)methyl]sulfanyl-4-fluorophenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[3-[dideuterio(fluoro)methyl]sulfanyl-4-fluorophenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine is [2H]C([2H])(F)Sc1cc(Nc2n[nH]c3cccnc23)ccc1F.
What is the InChIKey of N-[3-[dideuterio(fluoro)methyl]sulfanyl-4-fluorophenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is ZDMOJXZIHXIQMF-RJSZUWSASA-N. The full InChI is InChI=1S/C13H10F2N4S/c14-7-20-11-6-8(3-4-9(11)15)17-13-12-10(18-19-13)2-1-5-16-12/h1-6H,7H2,(H2,17,18,19)/i7D2.
What are the key properties of N-[3-[dideuterio(fluoro)methyl]sulfanyl-4-fluorophenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[3-[dideuterio(fluoro)methyl]sulfanyl-4-fluorophenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 294.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[dideuterio(fluoro)methyl]sulfanyl-4-fluorophenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 164738398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).