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

C23H24N8O2 — CID 118172946

IUPACN-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(-c5cn[nH]c5)n4)ccc3n2)CC1
InChIInChI=1S/C23H24N8O2/c1-29-7-9-30(10-8-29)22(32)15-31-14-16-11-18(5-6-20(16)28-31)26-23(33)21-4-2-3-19(27-21)17-12-24-25-13-17/h2-6,11-14H,7-10,15H2,1H3,(H,24,25)(H,26,33)
InChIKeyKWIFFDOVFXBPIY-UHFFFAOYSA-N
MW444.50 g/mol
LogP1.85
Rot. Bonds5

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

N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 118172946) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID118172946
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC NameN-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(-c5cn[nH]c5)n4)ccc3n2)CC1
InChIInChI=1S/C23H24N8O2/c1-29-7-9-30(10-8-29)22(32)15-31-14-16-11-18(5-6-20(16)28-31)26-23(33)21-4-2-3-19(27-21)17-12-24-25-13-17/h2-6,11-14H,7-10,15H2,1H3,(H,24,25)(H,26,33)
InChIKeyKWIFFDOVFXBPIY-UHFFFAOYSA-N
XLogP1.85
TPSA112.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 118172946) is N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is CN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(-c5cn[nH]c5)n4)ccc3n2)CC1.
What is the InChIKey of N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is KWIFFDOVFXBPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c1-29-7-9-30(10-8-29)22(32)15-31-14-16-11-18(5-6-20(16)28-31)26-23(33)21-4-2-3-19(27-21)17-12-24-25-13-17/h2-6,11-14H,7-10,15H2,1H3,(H,24,25)(H,26,33).
What are the key properties of N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118172946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).