2-(7-aminopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-(7-azidopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone

C38H40Cl2N14O2 — CID 123439030

IUPAC2-(7-aminopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-(7-azidopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cc(N2CCN(C(=O)Cn3ncc4ccnc(N)c43)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3ncc4ccnc(N=[N+]=[N-])c43)CC2)ccc1Cl
InChIInChI=1S/C19H19ClN8O.C19H21ClN6O/c1-13-10-15(2-3-16(13)20)26-6-8-27(9-7-26)17(29)12-28-18-14(11-23-28)4-5-22-19(18)24-25-21;1-13-10-15(2-3-16(13)20)24-6-8-25(9-7-24)17(27)12-26-18-14(11-23-26)4-5-22-19(18)21/h2-5,10-11H,6-9,12H2,1H3;2-5,10-11H,6-9,12H2,1H3,(H2,21,22)
InChIKeyMBLHLLNPLGDWFW-UHFFFAOYSA-N
MW795.74 g/mol
LogP6.01
Rot. Bonds7

About 2-(7-aminopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-(7-azidopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone

2-(7-aminopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-(7-azidopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 123439030) has the molecular formula C38H40Cl2N14O2 and a molecular weight of 795.74 g/mol. Its IUPAC name is 2-(7-aminopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-(7-azidopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(7-aminopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-(7-azidopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone
PubChem CID123439030
Molecular FormulaC38H40Cl2N14O2
Molecular Weight795.74 g/mol
Exact Mass794.28
IUPAC Name2-(7-aminopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-(7-azidopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cc(N2CCN(C(=O)Cn3ncc4ccnc(N)c43)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3ncc4ccnc(N=[N+]=[N-])c43)CC2)ccc1Cl
InChIInChI=1S/C19H19ClN8O.C19H21ClN6O/c1-13-10-15(2-3-16(13)20)26-6-8-27(9-7-26)17(29)12-28-18-14(11-23-28)4-5-22-19(18)24-25-21;1-13-10-15(2-3-16(13)20)24-6-8-25(9-7-24)17(27)12-26-18-14(11-23-26)4-5-22-19(18)21/h2-5,10-11H,6-9,12H2,1H3;2-5,10-11H,6-9,12H2,1H3,(H2,21,22)
InChIKeyMBLHLLNPLGDWFW-UHFFFAOYSA-N
XLogP6.01
TPSA183.30 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500795.74
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-(7-aminopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-(7-azidopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone
CID 58237714
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)ethanone
CID 142790163
1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-(3-iodopyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile
CID 158237332
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone
CID 57442936
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylsulfonylpyrazolo[4,5-c]pyridin-1-yl)ethanone
CID 67103947
6-[[2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-3H-furo[3,2-b]pyridin-2-one
CID 58467380
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one
CID 95754598
2-(6-aminopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(6-azidopyrazolo[5,4-b]pyridin-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methyl-5-nitropyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[6-(prop-1-en-2-ylamino)pyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 158287845
1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 143061636
tert-butyl 4-(4-chloro-3-methylphenyl)piperazine-1-carboxylate;ethane
CID 143766632
2-(6-chloroindazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 126459256
2-chloro-1-[4-(4-chloro-3-ethylphenyl)piperazin-1-yl]ethanone
CID 91465258

Frequently Asked Questions

What is the IUPAC name of 2-(7-aminopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-(7-azidopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(7-aminopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-(7-azidopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone (CID 123439030) is 2-(7-aminopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-(7-azidopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(7-aminopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-(7-azidopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(7-aminopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-(7-azidopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone is Cc1cc(N2CCN(C(=O)Cn3ncc4ccnc(N)c43)CC2)ccc1Cl.Cc1cc(N2CCN(C(=O)Cn3ncc4ccnc(N=[N+]=[N-])c43)CC2)ccc1Cl.
What is the InChIKey of 2-(7-aminopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-(7-azidopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is MBLHLLNPLGDWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN8O.C19H21ClN6O/c1-13-10-15(2-3-16(13)20)26-6-8-27(9-7-26)17(29)12-28-18-14(11-23-28)4-5-22-19(18)24-25-21;1-13-10-15(2-3-16(13)20)24-6-8-25(9-7-24)17(27)12-26-18-14(11-23-26)4-5-22-19(18)21/h2-5,10-11H,6-9,12H2,1H3;2-5,10-11H,6-9,12H2,1H3,(H2,21,22).
What are the key properties of 2-(7-aminopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-(7-azidopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone?
2-(7-aminopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-(7-azidopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 795.74 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-aminopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;2-(7-azidopyrazolo[5,4-c]pyridin-1-yl)-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 123439030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).