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

C24H26N8O2 — CID 118172856

IUPACN-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(-c5cnn(C)c5)n4)ccc3n2)CC1
InChIInChI=1S/C24H26N8O2/c1-29-8-10-31(11-9-29)23(33)16-32-15-17-12-19(6-7-21(17)28-32)26-24(34)22-5-3-4-20(27-22)18-13-25-30(2)14-18/h3-7,12-15H,8-11,16H2,1-2H3,(H,26,34)
InChIKeyYUSQNTXFDIAXDP-UHFFFAOYSA-N
MW458.53 g/mol
LogP1.86
Rot. Bonds5

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

N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 118172856) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID118172856
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC NameN-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(-c5cnn(C)c5)n4)ccc3n2)CC1
InChIInChI=1S/C24H26N8O2/c1-29-8-10-31(11-9-29)23(33)16-32-15-17-12-19(6-7-21(17)28-32)26-24(34)22-5-3-4-20(27-22)18-13-25-30(2)14-18/h3-7,12-15H,8-11,16H2,1-2H3,(H,26,34)
InChIKeyYUSQNTXFDIAXDP-UHFFFAOYSA-N
XLogP1.86
TPSA101.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 118172856) is N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is CN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(-c5cnn(C)c5)n4)ccc3n2)CC1.
What is the InChIKey of N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is YUSQNTXFDIAXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-29-8-10-31(11-9-29)23(33)16-32-15-17-12-19(6-7-21(17)28-32)26-24(34)22-5-3-4-20(27-22)18-13-25-30(2)14-18/h3-7,12-15H,8-11,16H2,1-2H3,(H,26,34).
What are the key properties of N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 458.53 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118172856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).