2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide

C26H28FN5O — CID 134137767

IUPAC2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc(C)n2nc(-c3ccc(CCCF)cc3)c(CC(=O)N(C)Cc3cccnc3)c2n1
InChIInChI=1S/C26H28FN5O/c1-18-14-19(2)32-26(29-18)23(15-24(33)31(3)17-21-7-5-13-28-16-21)25(30-32)22-10-8-20(9-11-22)6-4-12-27/h5,7-11,13-14,16H,4,6,12,15,17H2,1-3H3
InChIKeyOPHYTQQKYADXLX-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.51
Rot. Bonds8

About 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide

2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 134137767) has the molecular formula C26H28FN5O and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID134137767
Molecular FormulaC26H28FN5O
Molecular Weight445.54 g/mol
Exact Mass445.23
IUPAC Name2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc(C)n2nc(-c3ccc(CCCF)cc3)c(CC(=O)N(C)Cc3cccnc3)c2n1
InChIInChI=1S/C26H28FN5O/c1-18-14-19(2)32-26(29-18)23(15-24(33)31(3)17-21-7-5-13-28-16-21)25(30-32)22-10-8-20(9-11-22)6-4-12-27/h5,7-11,13-14,16H,4,6,12,15,17H2,1-3H3
InChIKeyOPHYTQQKYADXLX-UHFFFAOYSA-N
XLogP4.51
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide (CID 134137767) is 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide is Cc1cc(C)n2nc(-c3ccc(CCCF)cc3)c(CC(=O)N(C)Cc3cccnc3)c2n1.
What is the InChIKey of 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is OPHYTQQKYADXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O/c1-18-14-19(2)32-26(29-18)23(15-24(33)31(3)17-21-7-5-13-28-16-21)25(30-32)22-10-8-20(9-11-22)6-4-12-27/h5,7-11,13-14,16H,4,6,12,15,17H2,1-3H3.
What are the key properties of 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 445.54 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-fluoropropyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 134137767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).