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

C21H25N5O4S — CID 66624813

IUPACN-[2-[2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide
SMILESCc1nc2cc(C3CCCCN3C(=O)c3ccccc3NS(C)(=O)=O)[nH]n2c(=O)c1C
InChIInChI=1S/C21H25N5O4S/c1-13-14(2)22-19-12-17(23-26(19)20(13)27)18-10-6-7-11-25(18)21(28)15-8-4-5-9-16(15)24-31(3,29)30/h4-5,8-9,12,18,23-24H,6-7,10-11H2,1-3H3
InChIKeyGUDBVJLUIWNBEZ-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.38
Rot. Bonds4

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

N-[2-[2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 66624813) has the molecular formula C21H25N5O4S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[2-[2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID66624813
Molecular FormulaC21H25N5O4S
Molecular Weight443.53 g/mol
Exact Mass443.16
IUPAC NameN-[2-[2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide
SMILESCc1nc2cc(C3CCCCN3C(=O)c3ccccc3NS(C)(=O)=O)[nH]n2c(=O)c1C
InChIInChI=1S/C21H25N5O4S/c1-13-14(2)22-19-12-17(23-26(19)20(13)27)18-10-6-7-11-25(18)21(28)15-8-4-5-9-16(15)24-31(3,29)30/h4-5,8-9,12,18,23-24H,6-7,10-11H2,1-3H3
InChIKeyGUDBVJLUIWNBEZ-UHFFFAOYSA-N
XLogP2.38
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide (CID 66624813) is N-[2-[2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide is Cc1nc2cc(C3CCCCN3C(=O)c3ccccc3NS(C)(=O)=O)[nH]n2c(=O)c1C.
What is the InChIKey of N-[2-[2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is GUDBVJLUIWNBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S/c1-13-14(2)22-19-12-17(23-26(19)20(13)27)18-10-6-7-11-25(18)21(28)15-8-4-5-9-16(15)24-31(3,29)30/h4-5,8-9,12,18,23-24H,6-7,10-11H2,1-3H3.
What are the key properties of N-[2-[2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide?
N-[2-[2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 443.53 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 66624813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).