(NE,R)-N-[[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]methylidene]-2-methylpropane-2-sulfinamide

C17H17FN4OS — CID 165403077

IUPAC(NE,R)-N-[[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1cc2cnn(-c3ccc(F)cc3)c2cn1
InChIInChI=1S/C17H17FN4OS/c1-17(2,3)24(23)21-10-14-8-12-9-20-22(16(12)11-19-14)15-6-4-13(18)5-7-15/h4-11H,1-3H3/b21-10+/t24-/m1/s1
InChIKeyCTJGQUBZGYSMOK-CKUFSQJBSA-N
MW344.42 g/mol
LogP3.44
Rot. Bonds3

About (NE,R)-N-[[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]methylidene]-2-methylpropane-2-sulfinamide

(NE,R)-N-[[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 165403077) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is (NE,R)-N-[[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-[[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]methylidene]-2-methylpropane-2-sulfinamide
PubChem CID165403077
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC Name(NE,R)-N-[[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1cc2cnn(-c3ccc(F)cc3)c2cn1
InChIInChI=1S/C17H17FN4OS/c1-17(2,3)24(23)21-10-14-8-12-9-20-22(16(12)11-19-14)15-6-4-13(18)5-7-15/h4-11H,1-3H3/b21-10+/t24-/m1/s1
InChIKeyCTJGQUBZGYSMOK-CKUFSQJBSA-N
XLogP3.44
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NE,R)-2-methyl-N-[(1-methylindazol-5-yl)methylidene]propane-2-sulfinamide
CID 146665059
(S)-N-[(3-indazol-1-yl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 172747005
3-[1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-yl]benzene-1,2-diamine
CID 91060802
1-(4-fluorophenyl)indazol-5-amine
CID 59235727
(R)-N-[(5-fluoro-2-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530969
1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid
CID 90242362
(S)-N-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 150635533
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhex-3-enoic acid
CID 67005635
5-bromo-1-(4-fluorophenyl)-6-(trifluoromethyl)indazole
CID 168813334
1-[(3,4-dichlorophenyl)methyl]-3-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121432318
1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 46830501
1-(4-fluorophenyl)-6-propan-2-ylindazol-5-ol
CID 67005535

Frequently Asked Questions

What is the IUPAC name of (NE,R)-N-[[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-[[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]methylidene]-2-methylpropane-2-sulfinamide (CID 165403077) is (NE,R)-N-[[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-[[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-[[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C/c1cc2cnn(-c3ccc(F)cc3)c2cn1.
What is the InChIKey of (NE,R)-N-[[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is CTJGQUBZGYSMOK-CKUFSQJBSA-N. The full InChI is InChI=1S/C17H17FN4OS/c1-17(2,3)24(23)21-10-14-8-12-9-20-22(16(12)11-19-14)15-6-4-13(18)5-7-15/h4-11H,1-3H3/b21-10+/t24-/m1/s1.
What are the key properties of (NE,R)-N-[[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]methylidene]-2-methylpropane-2-sulfinamide?
(NE,R)-N-[[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 344.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-[[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 165403077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).