N-methyl-N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide

C21H19N5O3S — CID 11668965

IUPACN-methyl-N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4ccncc4)cnn23)c1
InChIInChI=1S/C21H19N5O3S/c1-3-30(28,29)25(2)17-6-4-5-16(13-17)19-9-12-23-21-18(14-24-26(19)21)20(27)15-7-10-22-11-8-15/h4-14H,3H2,1-2H3
InChIKeyLVRAIPSPIKZLFX-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.81
Rot. Bonds6

About N-methyl-N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide

N-methyl-N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide (PubChem CID 11668965) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-methyl-N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide
PubChem CID11668965
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC NameN-methyl-N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4ccncc4)cnn23)c1
InChIInChI=1S/C21H19N5O3S/c1-3-30(28,29)25(2)17-6-4-5-16(13-17)19-9-12-23-21-18(14-24-26(19)21)20(27)15-7-10-22-11-8-15/h4-14H,3H2,1-2H3
InChIKeyLVRAIPSPIKZLFX-UHFFFAOYSA-N
XLogP2.81
TPSA97.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-methyl-N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide (CID 11668965) is N-methyl-N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-methyl-N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-methyl-N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide is CCS(=O)(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4ccncc4)cnn23)c1.
What is the InChIKey of N-methyl-N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide?
The InChIKey is LVRAIPSPIKZLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-3-30(28,29)25(2)17-6-4-5-16(13-17)19-9-12-23-21-18(14-24-26(19)21)20(27)15-7-10-22-11-8-15/h4-14H,3H2,1-2H3.
What are the key properties of N-methyl-N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide?
N-methyl-N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide has a molecular weight of 421.48 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 11668965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).