N-(5-chloro-2-hydroxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-4-carboxamide

C21H23ClN6O2 — CID 133283594

IUPACN-(5-chloro-2-hydroxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2cncc(N3CCC(C(=O)Nc4cc(Cl)ccc4O)CC3)n2)n1
InChIInChI=1S/C21H23ClN6O2/c1-13-9-14(2)28(26-13)20-12-23-11-19(25-20)27-7-5-15(6-8-27)21(30)24-17-10-16(22)3-4-18(17)29/h3-4,9-12,15,29H,5-8H2,1-2H3,(H,24,30)
InChIKeyMPTUPGJINVBVJA-UHFFFAOYSA-N
MW426.91 g/mol
LogP3.49
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-4-carboxamide

N-(5-chloro-2-hydroxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 133283594) has the molecular formula C21H23ClN6O2 and a molecular weight of 426.91 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-4-carboxamide
PubChem CID133283594
Molecular FormulaC21H23ClN6O2
Molecular Weight426.91 g/mol
Exact Mass426.16
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2cncc(N3CCC(C(=O)Nc4cc(Cl)ccc4O)CC3)n2)n1
InChIInChI=1S/C21H23ClN6O2/c1-13-9-14(2)28(26-13)20-12-23-11-19(25-20)27-7-5-15(6-8-27)21(30)24-17-10-16(22)3-4-18(17)29/h3-4,9-12,15,29H,5-8H2,1-2H3,(H,24,30)
InChIKeyMPTUPGJINVBVJA-UHFFFAOYSA-N
XLogP3.49
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-cyanophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514306
N-(3-chloro-2-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514282
N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222631
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrazine
CID 133273860
[1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 133283095
1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-N-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide
CID 133400557
N-(5-chloro-2-hydroxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 2953828
N-(3-chloro-4-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514281
N-(2,5-dichlorophenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168983
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 90514232
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
CID 90514318
N-(2,4-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514213

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-4-carboxamide (CID 133283594) is N-(5-chloro-2-hydroxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-4-carboxamide is Cc1cc(C)n(-c2cncc(N3CCC(C(=O)Nc4cc(Cl)ccc4O)CC3)n2)n1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is MPTUPGJINVBVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O2/c1-13-9-14(2)28(26-13)20-12-23-11-19(25-20)27-7-5-15(6-8-27)21(30)24-17-10-16(22)3-4-18(17)29/h3-4,9-12,15,29H,5-8H2,1-2H3,(H,24,30).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-4-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 426.91 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 133283594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).