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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Related Compounds

N-[4-methyl-3-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134197885
N-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 53374209
N-(1-butan-2-yl-3-chloroindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192198
N-(3-propan-2-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134190101
1-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
CID 134191539
N-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)phenyl]acetamide
CID 123833221
N-[3-chloro-1-(2-methylpropyl)indazol-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192183
2-chloro-4-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-N-pyridin-2-ylbenzene-1,4-diamine
CID 118311727
N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 53373665
N-[3-[dideuterio(fluoro)methyl]sulfanyl-4-fluorophenyl]pyridine-2-carbothioamide
CID 164738405
1-(2,2-dimethylpropoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
CID 134191493
N-(1-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134198363

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).