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

C22H27N5O2 — CID 39458707

IUPAC(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C)cc1CN1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1
InChIInChI=1S/C22H27N5O2/c1-15-5-6-20(29-4)18(11-15)14-26-7-9-27(10-8-26)22(28)17-12-19-16(2)24-25(3)21(19)23-13-17/h5-6,11-13H,7-10,14H2,1-4H3
InChIKeyOEAXMYQYVLSNGK-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.55
Rot. Bonds4

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

(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 39458707) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID39458707
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C)cc1CN1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1
InChIInChI=1S/C22H27N5O2/c1-15-5-6-20(29-4)18(11-15)14-26-7-9-27(10-8-26)22(28)17-12-19-16(2)24-25(3)21(19)23-13-17/h5-6,11-13H,7-10,14H2,1-4H3
InChIKeyOEAXMYQYVLSNGK-UHFFFAOYSA-N
XLogP2.55
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 31559920
N-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide
CID 31339064
1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 119415537
(3,4-dimethoxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131708
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 31651902
[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 1131754
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116488
methyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate
CID 37287107
[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19329795
2-(2-methoxy-5-methylphenyl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110803118
(3,5-dimethoxyphenyl)-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]methanone
CID 110399171

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone (CID 39458707) is (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone is COc1ccc(C)cc1CN1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1.
What is the InChIKey of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is OEAXMYQYVLSNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15-5-6-20(29-4)18(11-15)14-26-7-9-27(10-8-26)22(28)17-12-19-16(2)24-25(3)21(19)23-13-17/h5-6,11-13H,7-10,14H2,1-4H3.
What are the key properties of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone?
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 393.49 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 39458707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).