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

C23H27N5O4S — CID 56597965

IUPACN-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide
SMILESCc1nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3NS(=O)(=O)C3CC3)[nH]n2c(=O)c1C
InChIInChI=1S/C23H27N5O4S/c1-14-15(2)24-21-13-19(25-28(21)22(14)29)20-9-5-6-12-27(20)23(30)17-7-3-4-8-18(17)26-33(31,32)16-10-11-16/h3-4,7-8,13,16,20,25-26H,5-6,9-12H2,1-2H3/t20-/m0/s1
InChIKeyCGKWAPAQCKDHRF-FQEVSTJZSA-N
MW469.57 g/mol
LogP2.91
Rot. Bonds5

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

N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide (PubChem CID 56597965) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide
PubChem CID56597965
Molecular FormulaC23H27N5O4S
Molecular Weight469.57 g/mol
Exact Mass469.18
IUPAC NameN-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide
SMILESCc1nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3NS(=O)(=O)C3CC3)[nH]n2c(=O)c1C
InChIInChI=1S/C23H27N5O4S/c1-14-15(2)24-21-13-19(25-28(21)22(14)29)20-9-5-6-12-27(20)23(30)17-7-3-4-8-18(17)26-33(31,32)16-10-11-16/h3-4,7-8,13,16,20,25-26H,5-6,9-12H2,1-2H3/t20-/m0/s1
InChIKeyCGKWAPAQCKDHRF-FQEVSTJZSA-N
XLogP2.91
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide (CID 56597965) is N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide is Cc1nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3NS(=O)(=O)C3CC3)[nH]n2c(=O)c1C.
What is the InChIKey of N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide?
The InChIKey is CGKWAPAQCKDHRF-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-14-15(2)24-21-13-19(25-28(21)22(14)29)20-9-5-6-12-27(20)23(30)17-7-3-4-8-18(17)26-33(31,32)16-10-11-16/h3-4,7-8,13,16,20,25-26H,5-6,9-12H2,1-2H3/t20-/m0/s1.
What are the key properties of N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide?
N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide has a molecular weight of 469.57 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 56597965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).