N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

C21H22N8O2 — CID 134422733

IUPACN-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCNCCNC(=O)Cn1cc2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)ccc2n1
InChIInChI=1S/C21H22N8O2/c1-22-7-8-23-20(30)13-29-12-14-9-16(5-6-18(14)28-29)26-21(31)19-4-2-3-17(27-19)15-10-24-25-11-15/h2-6,9-12,22H,7-8,13H2,1H3,(H,23,30)(H,24,25)(H,26,31)
InChIKeyHGYPYOZAFUMPGT-UHFFFAOYSA-N
MW418.46 g/mol
LogP1.41
Rot. Bonds8

About N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 134422733) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID134422733
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC NameN-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCNCCNC(=O)Cn1cc2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)ccc2n1
InChIInChI=1S/C21H22N8O2/c1-22-7-8-23-20(30)13-29-12-14-9-16(5-6-18(14)28-29)26-21(31)19-4-2-3-17(27-19)15-10-24-25-11-15/h2-6,9-12,22H,7-8,13H2,1H3,(H,23,30)(H,24,25)(H,26,31)
InChIKeyHGYPYOZAFUMPGT-UHFFFAOYSA-N
XLogP1.41
TPSA129.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
CID 123830920
N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 118182513
N-[2-[2-(2-benzamidoethylamino)-2-oxoethyl]indazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 134422759
N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 134422962
N-[2-[2-[2-(cyclohexa-1,5-diene-1-carbonylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide
CID 123659359
N-[2-[2-oxo-2-[2-(pyridin-4-ylmethylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 123383131
N-[2-[2-(2-benzamidoethylamino)-2-oxoethyl]indazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 144865207
N-[2-[2-[2-(cyclohexa-1,5-diene-1-carbonylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 123384554
6-(4-chloropyrazol-1-yl)-N-[2-[2-[2-(cyclohexa-1,5-diene-1-carbonylamino)ethylamino]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
CID 123449759
N-[2-[2-(4-methylpiperazin-1-yl)prop-2-enyl]indazol-5-yl]-6-(3-methylsulfonylphenyl)pyridine-2-carboxamide
CID 134443205
N-[4-[3-(prop-2-enoylamino)anilino]phenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 134543468
N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 134422864

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 134422733) is N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is CNCCNC(=O)Cn1cc2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)ccc2n1.
What is the InChIKey of N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is HGYPYOZAFUMPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2/c1-22-7-8-23-20(30)13-29-12-14-9-16(5-6-18(14)28-29)26-21(31)19-4-2-3-17(27-19)15-10-24-25-11-15/h2-6,9-12,22H,7-8,13H2,1H3,(H,23,30)(H,24,25)(H,26,31).
What are the key properties of N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 1.41, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 134422733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).