N-[2-[3-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)morpholine-4-carbonyl]phenyl]methanesulfonamide

C20H23N5O5S — CID 66625182

IUPACN-[2-[3-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)morpholine-4-carbonyl]phenyl]methanesulfonamide
SMILESCc1nc2cc(C3COCCN3C(=O)c3ccccc3NS(C)(=O)=O)[nH]n2c(=O)c1C
InChIInChI=1S/C20H23N5O5S/c1-12-13(2)21-18-10-16(22-25(18)19(12)26)17-11-30-9-8-24(17)20(27)14-6-4-5-7-15(14)23-31(3,28)29/h4-7,10,17,22-23H,8-9,11H2,1-3H3
InChIKeyQNNROMHQYDKIQS-UHFFFAOYSA-N
MW445.50 g/mol
LogP1.22
Rot. Bonds4

About N-[2-[3-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)morpholine-4-carbonyl]phenyl]methanesulfonamide

N-[2-[3-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)morpholine-4-carbonyl]phenyl]methanesulfonamide (PubChem CID 66625182) has the molecular formula C20H23N5O5S and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[2-[3-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)morpholine-4-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)morpholine-4-carbonyl]phenyl]methanesulfonamide
PubChem CID66625182
Molecular FormulaC20H23N5O5S
Molecular Weight445.50 g/mol
Exact Mass445.14
IUPAC NameN-[2-[3-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)morpholine-4-carbonyl]phenyl]methanesulfonamide
SMILESCc1nc2cc(C3COCCN3C(=O)c3ccccc3NS(C)(=O)=O)[nH]n2c(=O)c1C
InChIInChI=1S/C20H23N5O5S/c1-12-13(2)21-18-10-16(22-25(18)19(12)26)17-11-30-9-8-24(17)20(27)14-6-4-5-7-15(14)23-31(3,28)29/h4-7,10,17,22-23H,8-9,11H2,1-3H3
InChIKeyQNNROMHQYDKIQS-UHFFFAOYSA-N
XLogP1.22
TPSA125.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)morpholine-4-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[3-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)morpholine-4-carbonyl]phenyl]methanesulfonamide (CID 66625182) is N-[2-[3-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)morpholine-4-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)morpholine-4-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)morpholine-4-carbonyl]phenyl]methanesulfonamide is Cc1nc2cc(C3COCCN3C(=O)c3ccccc3NS(C)(=O)=O)[nH]n2c(=O)c1C.
What is the InChIKey of N-[2-[3-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)morpholine-4-carbonyl]phenyl]methanesulfonamide?
The InChIKey is QNNROMHQYDKIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O5S/c1-12-13(2)21-18-10-16(22-25(18)19(12)26)17-11-30-9-8-24(17)20(27)14-6-4-5-7-15(14)23-31(3,28)29/h4-7,10,17,22-23H,8-9,11H2,1-3H3.
What are the key properties of N-[2-[3-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)morpholine-4-carbonyl]phenyl]methanesulfonamide?
N-[2-[3-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)morpholine-4-carbonyl]phenyl]methanesulfonamide has a molecular weight of 445.50 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)morpholine-4-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 66625182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).