(2R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide

C25H36N6O2 — CID 95054895

IUPAC(2R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCC[C@H](C(=O)NCCN1CCN(c2cccc(C)c2C)CC1)N1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C25H36N6O2/c1-5-21(31-23-17-19(3)27-30(23)11-9-24(31)32)25(33)26-10-12-28-13-15-29(16-14-28)22-8-6-7-18(2)20(22)4/h6-8,17,21H,5,9-16H2,1-4H3,(H,26,33)/t21-/m1/s1
InChIKeyYRZURMBYHJRLBD-OAQYLSRUSA-N
MW452.60 g/mol
LogP2.26
Rot. Bonds7

About (2R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide

(2R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (PubChem CID 95054895) has the molecular formula C25H36N6O2 and a molecular weight of 452.60 g/mol. Its IUPAC name is (2R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
PubChem CID95054895
Molecular FormulaC25H36N6O2
Molecular Weight452.60 g/mol
Exact Mass452.29
IUPAC Name(2R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCC[C@H](C(=O)NCCN1CCN(c2cccc(C)c2C)CC1)N1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C25H36N6O2/c1-5-21(31-23-17-19(3)27-30(23)11-9-24(31)32)25(33)26-10-12-28-13-15-29(16-14-28)22-8-6-7-18(2)20(22)4/h6-8,17,21H,5,9-16H2,1-4H3,(H,26,33)/t21-/m1/s1
InChIKeyYRZURMBYHJRLBD-OAQYLSRUSA-N
XLogP2.26
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide with MolForge

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Related Compounds

(2S)-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 92706831
2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 53050899
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928837
2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide
CID 46282319
N-methyl-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928825
N-(3-ethoxypropyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928819
N-(2,5-dimethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928806
(2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 92723479
N-[3-[benzyl(methyl)amino]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 53023300
(2R)-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]propanamide
CID 95042448
2-tert-butyl-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-6-methylpyrimidine-4-carboxamide
CID 52945539
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-6-methyl-2-methylsulfanylpyrimidine-4-carboxamide
CID 50899749

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The IUPAC name of (2R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (CID 95054895) is (2R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.
What is the SMILES notation for (2R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The canonical SMILES for (2R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is CC[C@H](C(=O)NCCN1CCN(c2cccc(C)c2C)CC1)N1C(=O)CCn2nc(C)cc21.
What is the InChIKey of (2R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The InChIKey is YRZURMBYHJRLBD-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H36N6O2/c1-5-21(31-23-17-19(3)27-30(23)11-9-24(31)32)25(33)26-10-12-28-13-15-29(16-14-28)22-8-6-7-18(2)20(22)4/h6-8,17,21H,5,9-16H2,1-4H3,(H,26,33)/t21-/m1/s1.
What are the key properties of (2R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
(2R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide has a molecular weight of 452.60 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is sourced from PubChem (CID 95054895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).