N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]pyrrolidine-1-sulfonamide

C17H17FN6O2S — CID 72703726

IUPACN-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]pyrrolidine-1-sulfonamide
SMILESNc1ncnc2ccc(-c3cc(F)cc(NS(=O)(=O)N4CCCC4)c3)nc12
InChIInChI=1S/C17H17FN6O2S/c18-12-7-11(14-3-4-15-16(22-14)17(19)21-10-20-15)8-13(9-12)23-27(25,26)24-5-1-2-6-24/h3-4,7-10,23H,1-2,5-6H2,(H2,19,20,21)
InChIKeySULWOBWTWKYJPL-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.17
Rot. Bonds4

About N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]pyrrolidine-1-sulfonamide

N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]pyrrolidine-1-sulfonamide (PubChem CID 72703726) has the molecular formula C17H17FN6O2S and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]pyrrolidine-1-sulfonamide
PubChem CID72703726
Molecular FormulaC17H17FN6O2S
Molecular Weight388.43 g/mol
Exact Mass388.11
IUPAC NameN-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]pyrrolidine-1-sulfonamide
SMILESNc1ncnc2ccc(-c3cc(F)cc(NS(=O)(=O)N4CCCC4)c3)nc12
InChIInChI=1S/C17H17FN6O2S/c18-12-7-11(14-3-4-15-16(22-14)17(19)21-10-20-15)8-13(9-12)23-27(25,26)24-5-1-2-6-24/h3-4,7-10,23H,1-2,5-6H2,(H2,19,20,21)
InChIKeySULWOBWTWKYJPL-UHFFFAOYSA-N
XLogP2.17
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]pyrrolidine-1-sulfonamide (CID 72703726) is N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]pyrrolidine-1-sulfonamide is Nc1ncnc2ccc(-c3cc(F)cc(NS(=O)(=O)N4CCCC4)c3)nc12.
What is the InChIKey of N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]pyrrolidine-1-sulfonamide?
The InChIKey is SULWOBWTWKYJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O2S/c18-12-7-11(14-3-4-15-16(22-14)17(19)21-10-20-15)8-13(9-12)23-27(25,26)24-5-1-2-6-24/h3-4,7-10,23H,1-2,5-6H2,(H2,19,20,21).
What are the key properties of N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]pyrrolidine-1-sulfonamide?
N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]pyrrolidine-1-sulfonamide has a molecular weight of 388.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 72703726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).