[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone

C20H22FN5O — CID 87015876

IUPAC[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESCc1nn(C)c2ncc(CN3CCN(C(=O)c4ccccc4F)CC3)cc12
InChIInChI=1S/C20H22FN5O/c1-14-17-11-15(12-22-19(17)24(2)23-14)13-25-7-9-26(10-8-25)20(27)16-5-3-4-6-18(16)21/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyLKYOZSHCZIWMJD-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.37
Rot. Bonds3

About [4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone

[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 87015876) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is [4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
PubChem CID87015876
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESCc1nn(C)c2ncc(CN3CCN(C(=O)c4ccccc4F)CC3)cc12
InChIInChI=1S/C20H22FN5O/c1-14-17-11-15(12-22-19(17)24(2)23-14)13-25-7-9-26(10-8-25)20(27)16-5-3-4-6-18(16)21/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyLKYOZSHCZIWMJD-UHFFFAOYSA-N
XLogP2.37
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 87017002
1-adamantyl-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]methanone
CID 87015262
N-(2,6-dimethylphenyl)-2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]acetamide
CID 87013788
1-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]-3-(2-fluorophenyl)urea
CID 86936846
1,3-dimethyl-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]pyrazolo[5,4-b]pyridine
CID 87013100
[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 110399164
ethyl 4-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133455863
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone;oxalic acid
CID 2878210
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone
CID 39458707
(4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 113072774
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone;oxalic acid
CID 648267
4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylmorpholine
CID 87015309

Frequently Asked Questions

What is the IUPAC name of [4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone (CID 87015876) is [4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone is Cc1nn(C)c2ncc(CN3CCN(C(=O)c4ccccc4F)CC3)cc12.
What is the InChIKey of [4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is LKYOZSHCZIWMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-14-17-11-15(12-22-19(17)24(2)23-14)13-25-7-9-26(10-8-25)20(27)16-5-3-4-6-18(16)21/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of [4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 367.43 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 87015876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).