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

C17H21N5O2 — CID 92723479

IUPAC(2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)butanamide
SMILESCC[C@H](C(=O)NCc1cccnc1)N1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C17H21N5O2/c1-3-14(17(24)19-11-13-5-4-7-18-10-13)22-15-9-12(2)20-21(15)8-6-16(22)23/h4-5,7,9-10,14H,3,6,8,11H2,1-2H3,(H,19,24)/t14-/m1/s1
InChIKeyMDTHIGGSDGDWID-CQSZACIVSA-N
MW327.39 g/mol
LogP1.42
Rot. Bonds5

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

(2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 92723479) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)butanamide
PubChem CID92723479
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)butanamide
SMILESCC[C@H](C(=O)NCc1cccnc1)N1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C17H21N5O2/c1-3-14(17(24)19-11-13-5-4-7-18-10-13)22-15-9-12(2)20-21(15)8-6-16(22)23/h4-5,7,9-10,14H,3,6,8,11H2,1-2H3,(H,19,24)/t14-/m1/s1
InChIKeyMDTHIGGSDGDWID-CQSZACIVSA-N
XLogP1.42
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide
CID 46282319
N-(2,5-dimethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928806
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-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
2-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 53023326
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 11939645
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 90517873
4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 20920133
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 43002459
1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 46048617
2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 42811703
4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 46349719

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of (2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)butanamide (CID 92723479) is (2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for (2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for (2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)butanamide is CC[C@H](C(=O)NCc1cccnc1)N1C(=O)CCn2nc(C)cc21.
What is the InChIKey of (2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is MDTHIGGSDGDWID-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-3-14(17(24)19-11-13-5-4-7-18-10-13)22-15-9-12(2)20-21(15)8-6-16(22)23/h4-5,7,9-10,14H,3,6,8,11H2,1-2H3,(H,19,24)/t14-/m1/s1.
What are the key properties of (2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)butanamide?
(2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 327.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 92723479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).