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

C24H25FN4O2S — CID 12018232

IUPACN-cycloheptyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide
SMILESO=S(NC1CCCCCC1)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1
InChIInChI=1S/C24H25FN4O2S/c25-20-12-6-5-8-17(20)16-29-24-19(11-7-15-26-24)23(27-29)21-13-14-22(31-21)32(30)28-18-9-3-1-2-4-10-18/h5-8,11-15,18,28H,1-4,9-10,16H2
InChIKeyXVZNPKFJHDCHRH-UHFFFAOYSA-N
MW452.56 g/mol
LogP5.21
Rot. Bonds6

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

N-cycloheptyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide (PubChem CID 12018232) has the molecular formula C24H25FN4O2S and a molecular weight of 452.56 g/mol. Its IUPAC name is N-cycloheptyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide.

Molecular Properties

Compound NameN-cycloheptyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide
PubChem CID12018232
Molecular FormulaC24H25FN4O2S
Molecular Weight452.56 g/mol
Exact Mass452.17
IUPAC NameN-cycloheptyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide
SMILESO=S(NC1CCCCCC1)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1
InChIInChI=1S/C24H25FN4O2S/c25-20-12-6-5-8-17(20)16-29-24-19(11-7-15-26-24)23(27-29)21-13-14-22(31-21)32(30)28-18-9-3-1-2-4-10-18/h5-8,11-15,18,28H,1-4,9-10,16H2
InChIKeyXVZNPKFJHDCHRH-UHFFFAOYSA-N
XLogP5.21
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-Benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide?
The IUPAC name of N-cycloheptyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide (CID 12018232) is N-cycloheptyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide.
What is the SMILES notation for N-cycloheptyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide?
The canonical SMILES for N-cycloheptyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide is O=S(NC1CCCCCC1)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1.
What is the InChIKey of N-cycloheptyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide?
The InChIKey is XVZNPKFJHDCHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2S/c25-20-12-6-5-8-17(20)16-29-24-19(11-7-15-26-24)23(27-29)21-13-14-22(31-21)32(30)28-18-9-3-1-2-4-10-18/h5-8,11-15,18,28H,1-4,9-10,16H2.
What are the key properties of N-cycloheptyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide?
N-cycloheptyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide has a molecular weight of 452.56 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-sulfinamide is sourced from PubChem (CID 12018232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).