N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]-2-pyridin-2-yloxyacetamide

C16H17N5O3 — CID 92555696

IUPACN-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]-2-pyridin-2-yloxyacetamide
SMILESCc1cc2nc([C@@H](C)NC(=O)COc3ccccn3)cc(=O)n2[nH]1
InChIInChI=1S/C16H17N5O3/c1-10-7-13-19-12(8-16(23)21(13)20-10)11(2)18-14(22)9-24-15-5-3-4-6-17-15/h3-8,11,20H,9H2,1-2H3,(H,18,22)/t11-/m1/s1
InChIKeyYPLRQXVRNQHUSD-LLVKDONJSA-N
MW327.34 g/mol
LogP0.98
Rot. Bonds5

About N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]-2-pyridin-2-yloxyacetamide

N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]-2-pyridin-2-yloxyacetamide (PubChem CID 92555696) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]-2-pyridin-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]-2-pyridin-2-yloxyacetamide
PubChem CID92555696
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC NameN-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]-2-pyridin-2-yloxyacetamide
SMILESCc1cc2nc([C@@H](C)NC(=O)COc3ccccn3)cc(=O)n2[nH]1
InChIInChI=1S/C16H17N5O3/c1-10-7-13-19-12(8-16(23)21(13)20-10)11(2)18-14(22)9-24-15-5-3-4-6-17-15/h3-8,11,20H,9H2,1-2H3,(H,18,22)/t11-/m1/s1
InChIKeyYPLRQXVRNQHUSD-LLVKDONJSA-N
XLogP0.98
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-dimethyl-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]butanamide
CID 92555688
3-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]propanamide
CID 98075773
N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-2-(4-methylphenyl)acetamide
CID 92557803
N-[2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-2-(4-methylphenyl)acetamide
CID 110239187
N-[(1R)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-2-(2-methylphenyl)acetamide
CID 92561990
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538
2-methyl-5-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216191
(2S)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]propanamide
CID 92555673
2-(2-methoxyphenyl)-N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]acetamide
CID 92578696
3-fluoro-N-[(1S)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzenesulfonamide
CID 92555713
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 41038380
2-(4-methoxyphenyl)-N-[(1S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide
CID 92555750

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]-2-pyridin-2-yloxyacetamide?
The IUPAC name of N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]-2-pyridin-2-yloxyacetamide (CID 92555696) is N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]-2-pyridin-2-yloxyacetamide.
What is the SMILES notation for N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]-2-pyridin-2-yloxyacetamide?
The canonical SMILES for N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]-2-pyridin-2-yloxyacetamide is Cc1cc2nc([C@@H](C)NC(=O)COc3ccccn3)cc(=O)n2[nH]1.
What is the InChIKey of N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]-2-pyridin-2-yloxyacetamide?
The InChIKey is YPLRQXVRNQHUSD-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-10-7-13-19-12(8-16(23)21(13)20-10)11(2)18-14(22)9-24-15-5-3-4-6-17-15/h3-8,11,20H,9H2,1-2H3,(H,18,22)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]-2-pyridin-2-yloxyacetamide?
N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]-2-pyridin-2-yloxyacetamide has a molecular weight of 327.34 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]-2-pyridin-2-yloxyacetamide is sourced from PubChem (CID 92555696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).