3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2R)-2-phenylpropyl]propanamide

C28H32N4O3 — CID 92669336

IUPAC3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2R)-2-phenylpropyl]propanamide
SMILESCCn1c(C)c(CCC(=O)NC[C@H](C)c2ccccc2)c(=O)n2nc(-c3ccccc3OC)cc12
InChIInChI=1S/C28H32N4O3/c1-5-31-20(3)22(15-16-26(33)29-18-19(2)21-11-7-6-8-12-21)28(34)32-27(31)17-24(30-32)23-13-9-10-14-25(23)35-4/h6-14,17,19H,5,15-16,18H2,1-4H3,(H,29,33)/t19-/m0/s1
InChIKeyUQLQMRPWOFKKTQ-IBGZPJMESA-N
MW472.59 g/mol
LogP4.35
Rot. Bonds9

About 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2R)-2-phenylpropyl]propanamide

3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2R)-2-phenylpropyl]propanamide (PubChem CID 92669336) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2R)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2R)-2-phenylpropyl]propanamide
PubChem CID92669336
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2R)-2-phenylpropyl]propanamide
SMILESCCn1c(C)c(CCC(=O)NC[C@H](C)c2ccccc2)c(=O)n2nc(-c3ccccc3OC)cc12
InChIInChI=1S/C28H32N4O3/c1-5-31-20(3)22(15-16-26(33)29-18-19(2)21-11-7-6-8-12-21)28(34)32-27(31)17-24(30-32)23-13-9-10-14-25(23)35-4/h6-14,17,19H,5,15-16,18H2,1-4H3,(H,29,33)/t19-/m0/s1
InChIKeyUQLQMRPWOFKKTQ-IBGZPJMESA-N
XLogP4.35
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide
CID 23604151
ethyl 3-[3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanoylamino]benzoate
CID 20863765
N-[(4-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53030453
3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-methylphenyl)propanamide
CID 53030448
N-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53093229
6-[3-(azepan-1-yl)-3-oxopropyl]-2-(2-methoxyphenyl)-4,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one
CID 53030432
2-(2-methoxyphenyl)-4,5-dimethyl-6-(3-morpholin-4-yl-3-oxopropyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 53009193
N-hexyl-3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 20863291
3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-phenylpropyl)propanamide
CID 53030478
2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-phenylpropyl)acetamide
CID 20953634
2-ethoxy-N-(2-phenylpropyl)acetamide
CID 60637427
3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(furan-2-yl)propyl]propanamide
CID 53030540

Frequently Asked Questions

What is the IUPAC name of 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2R)-2-phenylpropyl]propanamide?
The IUPAC name of 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2R)-2-phenylpropyl]propanamide (CID 92669336) is 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2R)-2-phenylpropyl]propanamide.
What is the SMILES notation for 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2R)-2-phenylpropyl]propanamide?
The canonical SMILES for 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2R)-2-phenylpropyl]propanamide is CCn1c(C)c(CCC(=O)NC[C@H](C)c2ccccc2)c(=O)n2nc(-c3ccccc3OC)cc12.
What is the InChIKey of 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2R)-2-phenylpropyl]propanamide?
The InChIKey is UQLQMRPWOFKKTQ-IBGZPJMESA-N. The full InChI is InChI=1S/C28H32N4O3/c1-5-31-20(3)22(15-16-26(33)29-18-19(2)21-11-7-6-8-12-21)28(34)32-27(31)17-24(30-32)23-13-9-10-14-25(23)35-4/h6-14,17,19H,5,15-16,18H2,1-4H3,(H,29,33)/t19-/m0/s1.
What are the key properties of 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2R)-2-phenylpropyl]propanamide?
3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2R)-2-phenylpropyl]propanamide has a molecular weight of 472.59 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-[(2R)-2-phenylpropyl]propanamide is sourced from PubChem (CID 92669336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).