N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-2-(4-methylphenyl)acetamide

C24H25N5O2 — CID 92557803

IUPACN-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N[C@H](c2cc(=O)n3[nH]c(-c4ccccn4)cc3n2)C(C)C)cc1
InChIInChI=1S/C24H25N5O2/c1-15(2)24(27-22(30)12-17-9-7-16(3)8-10-17)20-14-23(31)29-21(26-20)13-19(28-29)18-6-4-5-11-25-18/h4-11,13-15,24,28H,12H2,1-3H3,(H,27,30)/t24-/m0/s1
InChIKeyVDLUSWZEMZQEIR-DEOSSOPVSA-N
MW415.50 g/mol
LogP3.45
Rot. Bonds6

About N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-2-(4-methylphenyl)acetamide

N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-2-(4-methylphenyl)acetamide (PubChem CID 92557803) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-2-(4-methylphenyl)acetamide
PubChem CID92557803
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N[C@H](c2cc(=O)n3[nH]c(-c4ccccn4)cc3n2)C(C)C)cc1
InChIInChI=1S/C24H25N5O2/c1-15(2)24(27-22(30)12-17-9-7-16(3)8-10-17)20-14-23(31)29-21(26-20)13-19(28-29)18-6-4-5-11-25-18/h4-11,13-15,24,28H,12H2,1-3H3,(H,27,30)/t24-/m0/s1
InChIKeyVDLUSWZEMZQEIR-DEOSSOPVSA-N
XLogP3.45
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 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) is N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)N[C@H](c2cc(=O)n3[nH]c(-c4ccccn4)cc3n2)C(C)C)cc1.
What is the InChIKey of N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-2-(4-methylphenyl)acetamide?
The InChIKey is VDLUSWZEMZQEIR-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-15(2)24(27-22(30)12-17-9-7-16(3)8-10-17)20-14-23(31)29-21(26-20)13-19(28-29)18-6-4-5-11-25-18/h4-11,13-15,24,28H,12H2,1-3H3,(H,27,30)/t24-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-2-(4-methylphenyl)acetamide?
N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-2-(4-methylphenyl)acetamide has a molecular weight of 415.50 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-(7-oxo-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)propyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 92557803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).