methyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate

C22H24ClN5O3 — CID 37287107

IUPACmethyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1
InChIInChI=1S/C22H24ClN5O3/c1-14-17-12-15(13-24-20(17)26(2)25-14)21(29)28-10-8-27(9-11-28)19(22(30)31-3)16-6-4-5-7-18(16)23/h4-7,12-13,19H,8-11H2,1-3H3/t19-/m0/s1
InChIKeyDWTZAPXJIORQTD-IBGZPJMESA-N
MW441.92 g/mol
LogP2.60
Rot. Bonds4

About methyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate

methyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate (PubChem CID 37287107) has the molecular formula C22H24ClN5O3 and a molecular weight of 441.92 g/mol. Its IUPAC name is methyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate
PubChem CID37287107
Molecular FormulaC22H24ClN5O3
Molecular Weight441.92 g/mol
Exact Mass441.16
IUPAC Namemethyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1
InChIInChI=1S/C22H24ClN5O3/c1-14-17-12-15(13-24-20(17)26(2)25-14)21(29)28-10-8-27(9-11-28)19(22(30)31-3)16-6-4-5-7-18(16)23/h4-7,12-13,19H,8-11H2,1-3H3/t19-/m0/s1
InChIKeyDWTZAPXJIORQTD-IBGZPJMESA-N
XLogP2.60
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate with MolForge

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Related Compounds

methyl 2-(2-chlorophenyl)-2-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate
CID 46553401
N-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide
CID 31339064
methyl (2R)-2-(2-chlorophenyl)-2-[4-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperazin-1-yl]acetate
CID 51929508
methyl 2-(2-chlorophenyl)-2-[4-(3-ethoxy-4-methoxybenzoyl)piperazin-1-yl]acetate
CID 46553316
methyl 2-(4-chlorophenyl)-2-[4-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetate
CID 43063801
methyl 2-(2-chlorophenyl)-2-[4-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]acetate
CID 42932123
methyl 2-(2-chlorophenyl)-2-[4-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetate
CID 55818662
1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 119415537
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543986
methyl 2-(2-chlorophenyl)-2-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]acetate
CID 55492463
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 31651902
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119645490

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate?
The IUPAC name of methyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate (CID 37287107) is methyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate is COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cnc3c(c2)c(C)nn3C)CC1.
What is the InChIKey of methyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate?
The InChIKey is DWTZAPXJIORQTD-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24ClN5O3/c1-14-17-12-15(13-24-20(17)26(2)25-14)21(29)28-10-8-27(9-11-28)19(22(30)31-3)16-6-4-5-7-18(16)23/h4-7,12-13,19H,8-11H2,1-3H3/t19-/m0/s1.
What are the key properties of methyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate?
methyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate has a molecular weight of 441.92 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate is sourced from PubChem (CID 37287107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).