N-[7-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]acetamide

C21H25FN4O2 — CID 146260386

IUPACN-[7-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(OC[C@H](C)CC(C)C)c(F)c2)n2nccc2n1
InChIInChI=1S/C21H25FN4O2/c1-13(2)9-14(3)12-28-19-6-5-16(10-17(19)22)18-11-20(24-15(4)27)25-21-7-8-23-26(18)21/h5-8,10-11,13-14H,9,12H2,1-4H3,(H,24,25,27)/t14-/m1/s1
InChIKeyZFDNISUCEKFPDR-CQSZACIVSA-N
MW384.46 g/mol
LogP4.55
Rot. Bonds7

About N-[7-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]acetamide

N-[7-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]acetamide (PubChem CID 146260386) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[7-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[7-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]acetamide
PubChem CID146260386
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-[7-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(OC[C@H](C)CC(C)C)c(F)c2)n2nccc2n1
InChIInChI=1S/C21H25FN4O2/c1-13(2)9-14(3)12-28-19-6-5-16(10-17(19)22)18-11-20(24-15(4)27)25-21-7-8-23-26(18)21/h5-8,10-11,13-14H,9,12H2,1-4H3,(H,24,25,27)/t14-/m1/s1
InChIKeyZFDNISUCEKFPDR-CQSZACIVSA-N
XLogP4.55
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[7-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]acetamide
CID 137459399
4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-2-fluoropyridine
CID 163987326
4-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]-1-methylpyrazolo[3,4-b]pyridine
CID 145286257
1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol
CID 114200314
methyl N-[4-[4-(2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbamate
CID 146207931
4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridine;methanamine
CID 145286303
N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 138506530
5-bromo-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]furan-2-carboxamide
CID 138506505
propan-2-yl N-[4-[4-(2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbamate
CID 145286346
N-[4-[4-(2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]-2-pyridinyl]thiophene-2-carboxamide
CID 146260399
2-cyclopentyl-N-[4-[4-[(2R)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]acetamide
CID 138506527
7-[3-chloro-4-(2,4-dimethylpentoxy)phenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;ethane
CID 145286225

Frequently Asked Questions

What is the IUPAC name of N-[7-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]acetamide?
The IUPAC name of N-[7-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]acetamide (CID 146260386) is N-[7-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[7-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]acetamide?
The canonical SMILES for N-[7-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]acetamide is CC(=O)Nc1cc(-c2ccc(OC[C@H](C)CC(C)C)c(F)c2)n2nccc2n1.
What is the InChIKey of N-[7-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]acetamide?
The InChIKey is ZFDNISUCEKFPDR-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-13(2)9-14(3)12-28-19-6-5-16(10-17(19)22)18-11-20(24-15(4)27)25-21-7-8-23-26(18)21/h5-8,10-11,13-14H,9,12H2,1-4H3,(H,24,25,27)/t14-/m1/s1.
What are the key properties of N-[7-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]acetamide?
N-[7-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]acetamide has a molecular weight of 384.46 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 146260386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).