4-[(2,6-dichlorobenzoyl)amino]-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyrazole-5-carboxamide

C20H19Cl2N7O2 — CID 24889472

IUPAC4-[(2,6-dichlorobenzoyl)amino]-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCNCC2)cn1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C20H19Cl2N7O2/c21-13-2-1-3-14(22)17(13)19(30)26-15-11-25-28-18(15)20(31)27-16-5-4-12(10-24-16)29-8-6-23-7-9-29/h1-5,10-11,23H,6-9H2,(H,25,28)(H,26,30)(H,24,27,31)
InChIKeyBQIBMJWSXIYJQB-UHFFFAOYSA-N
MW460.33 g/mol
LogP3.03
Rot. Bonds5

About 4-[(2,6-dichlorobenzoyl)amino]-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyrazole-5-carboxamide

4-[(2,6-dichlorobenzoyl)amino]-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyrazole-5-carboxamide (PubChem CID 24889472) has the molecular formula C20H19Cl2N7O2 and a molecular weight of 460.33 g/mol. Its IUPAC name is 4-[(2,6-dichlorobenzoyl)amino]-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dichlorobenzoyl)amino]-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyrazole-5-carboxamide
PubChem CID24889472
Molecular FormulaC20H19Cl2N7O2
Molecular Weight460.33 g/mol
Exact Mass459.10
IUPAC Name4-[(2,6-dichlorobenzoyl)amino]-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCNCC2)cn1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C20H19Cl2N7O2/c21-13-2-1-3-14(22)17(13)19(30)26-15-11-25-28-18(15)20(31)27-16-5-4-12(10-24-16)29-8-6-23-7-9-29/h1-5,10-11,23H,6-9H2,(H,25,28)(H,26,30)(H,24,27,31)
InChIKeyBQIBMJWSXIYJQB-UHFFFAOYSA-N
XLogP3.03
TPSA115.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.33
LogP ≤ 53.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 141731693
CID 141731711
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CID 135567112
CID 135567112
CID 10621510
CID 10621510
CID 11224694
CID 11224694
CID 11373520
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CID 23630511
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CID 23630512
CID 23630512

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorobenzoyl)amino]-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,6-dichlorobenzoyl)amino]-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyrazole-5-carboxamide (CID 24889472) is 4-[(2,6-dichlorobenzoyl)amino]-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,6-dichlorobenzoyl)amino]-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,6-dichlorobenzoyl)amino]-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(N2CCNCC2)cn1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 4-[(2,6-dichlorobenzoyl)amino]-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyrazole-5-carboxamide?
The InChIKey is BQIBMJWSXIYJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N7O2/c21-13-2-1-3-14(22)17(13)19(30)26-15-11-25-28-18(15)20(31)27-16-5-4-12(10-24-16)29-8-6-23-7-9-29/h1-5,10-11,23H,6-9H2,(H,25,28)(H,26,30)(H,24,27,31).
What are the key properties of 4-[(2,6-dichlorobenzoyl)amino]-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyrazole-5-carboxamide?
4-[(2,6-dichlorobenzoyl)amino]-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyrazole-5-carboxamide has a molecular weight of 460.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorobenzoyl)amino]-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 24889472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).