(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C22H24F3N5O — CID 44822876

IUPAC(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCCCn1ncc2c(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc(C)nc21
InChIInChI=1S/C22H24F3N5O/c1-3-7-30-20-19(14-26-30)18(12-15(2)27-20)21(31)29-10-8-28(9-11-29)17-6-4-5-16(13-17)22(23,24)25/h4-6,12-14H,3,7-11H2,1-2H3
InChIKeyCHPDBEWNGVKORS-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.13
Rot. Bonds4

About (6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 44822876) has the molecular formula C22H24F3N5O and a molecular weight of 431.46 g/mol. Its IUPAC name is (6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID44822876
Molecular FormulaC22H24F3N5O
Molecular Weight431.46 g/mol
Exact Mass431.19
IUPAC Name(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCCCn1ncc2c(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc(C)nc21
InChIInChI=1S/C22H24F3N5O/c1-3-7-30-20-19(14-26-30)18(12-15(2)27-20)21(31)29-10-8-28(9-11-29)17-6-4-5-16(13-17)22(23,24)25/h4-6,12-14H,3,7-11H2,1-2H3
InChIKeyCHPDBEWNGVKORS-UHFFFAOYSA-N
XLogP4.13
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one
CID 42162110
(4-benzylpiperidin-1-yl)-(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 44822917
(5-methylpyrazin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42965297
(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 38027512
[4-(3-hydroxyphenyl)piperazin-1-yl]-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 112810065
[2-(5-methylfuran-2-yl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1222852
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 112807516
[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 33220761
[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 10410315
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 126470239
(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 112791328

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 44822876) is (6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is CCCn1ncc2c(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc(C)nc21.
What is the InChIKey of (6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is CHPDBEWNGVKORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O/c1-3-7-30-20-19(14-26-30)18(12-15(2)27-20)21(31)29-10-8-28(9-11-29)17-6-4-5-16(13-17)22(23,24)25/h4-6,12-14H,3,7-11H2,1-2H3.
What are the key properties of (6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 431.46 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 44822876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).