N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C23H26N4O2 — CID 39976214

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)N(C)[C@H](C)c3cc4ccccc4o3)c(C)n2n1
InChIInChI=1S/C23H26N4O2/c1-14-12-22-24-15(2)19(16(3)27(22)25-14)10-11-23(28)26(5)17(4)21-13-18-8-6-7-9-20(18)29-21/h6-9,12-13,17H,10-11H2,1-5H3/t17-/m1/s1
InChIKeyFPHFRDMKIPDBMC-QGZVFWFLSA-N
MW390.49 g/mol
LogP4.55
Rot. Bonds5

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 39976214) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID39976214
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1cc2nc(C)c(CCC(=O)N(C)[C@H](C)c3cc4ccccc4o3)c(C)n2n1
InChIInChI=1S/C23H26N4O2/c1-14-12-22-24-15(2)19(16(3)27(22)25-14)10-11-23(28)26(5)17(4)21-13-18-8-6-7-9-20(18)29-21/h6-9,12-13,17H,10-11H2,1-5H3/t17-/m1/s1
InChIKeyFPHFRDMKIPDBMC-QGZVFWFLSA-N
XLogP4.55
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46550846
N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide
CID 55204447
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 39976237
3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylpropanamide
CID 51728417
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-benzyl-N-cyclopropyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 38252510
3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 7129126
N-[(4-fluorophenyl)methyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 51200959
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 31285201
N-ethyl-N-(2-hydroxyethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 78821683
N-naphthalen-1-yl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33142251
2-[[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 60503344

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 39976214) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1cc2nc(C)c(CCC(=O)N(C)[C@H](C)c3cc4ccccc4o3)c(C)n2n1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is FPHFRDMKIPDBMC-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-14-12-22-24-15(2)19(16(3)27(22)25-14)10-11-23(28)26(5)17(4)21-13-18-8-6-7-9-20(18)29-21/h6-9,12-13,17H,10-11H2,1-5H3/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 390.49 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 39976214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).