N-cyclopropyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide

C20H17FN4O2S — CID 12018231

IUPACN-cyclopropyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide
SMILESO=S(NC1CC1)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1
InChIInChI=1S/C20H17FN4O2S/c21-16-6-2-1-4-13(16)12-25-20-15(5-3-11-22-20)19(23-25)17-9-10-18(27-17)28(26)24-14-7-8-14/h1-6,9-11,14,24H,7-8,12H2
InChIKeyPEBUBUYXQYTWFX-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.65
Rot. Bonds6

About N-cyclopropyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide

N-cyclopropyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide (PubChem CID 12018231) has the molecular formula C20H17FN4O2S and a molecular weight of 396.45 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide
PubChem CID12018231
Molecular FormulaC20H17FN4O2S
Molecular Weight396.45 g/mol
Exact Mass396.11
IUPAC NameN-cyclopropyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide
SMILESO=S(NC1CC1)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1
InChIInChI=1S/C20H17FN4O2S/c21-16-6-2-1-4-13(16)12-25-20-15(5-3-11-22-20)19(23-25)17-9-10-18(27-17)28(26)24-14-7-8-14/h1-6,9-11,14,24H,7-8,12H2
InChIKeyPEBUBUYXQYTWFX-UHFFFAOYSA-N
XLogP3.65
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 9879687
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CID 9901099
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CID 9904688
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CID 9944894
CID 9944894
CID 9967146
CID 9967146
CID 22015485
CID 22015485
CID 22015494
CID 22015494
CID 22015499
CID 22015499
CID 22015508
CID 22015508
CID 22015525
CID 22015525
CID 22015549
CID 22015549
CID 22015550
CID 22015550

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide?
The IUPAC name of N-cyclopropyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide (CID 12018231) is N-cyclopropyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide.
What is the SMILES notation for N-cyclopropyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide?
The canonical SMILES for N-cyclopropyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide is O=S(NC1CC1)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1.
What is the InChIKey of N-cyclopropyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide?
The InChIKey is PEBUBUYXQYTWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c21-16-6-2-1-4-13(16)12-25-20-15(5-3-11-22-20)19(23-25)17-9-10-18(27-17)28(26)24-14-7-8-14/h1-6,9-11,14,24H,7-8,12H2.
What are the key properties of N-cyclopropyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide?
N-cyclopropyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide has a molecular weight of 396.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide is sourced from PubChem (CID 12018231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).