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

C25H28N8O2 — CID 118172900

IUPACN-[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(-c5cnn(C)c5)n4)ccc3n2)CC1
InChIInChI=1S/C25H28N8O2/c1-3-31-9-11-32(12-10-31)24(34)17-33-16-18-13-20(7-8-22(18)29-33)27-25(35)23-6-4-5-21(28-23)19-14-26-30(2)15-19/h4-8,13-16H,3,9-12,17H2,1-2H3,(H,27,35)
InChIKeyKRXPCLFAHZNNNQ-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.25
Rot. Bonds6

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

N-[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 118172900) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID118172900
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC NameN-[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(-c5cnn(C)c5)n4)ccc3n2)CC1
InChIInChI=1S/C25H28N8O2/c1-3-31-9-11-32(12-10-31)24(34)17-33-16-18-13-20(7-8-22(18)29-33)27-25(35)23-6-4-5-21(28-23)19-14-26-30(2)15-19/h4-8,13-16H,3,9-12,17H2,1-2H3,(H,27,35)
InChIKeyKRXPCLFAHZNNNQ-UHFFFAOYSA-N
XLogP2.25
TPSA101.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.25
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-ethylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 118172900) is N-[2-[2-(4-ethylpiperazin-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-ethylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is CCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(-c5cnn(C)c5)n4)ccc3n2)CC1.
What is the InChIKey of N-[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is KRXPCLFAHZNNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-3-31-9-11-32(12-10-31)24(34)17-33-16-18-13-20(7-8-22(18)29-33)27-25(35)23-6-4-5-21(28-23)19-14-26-30(2)15-19/h4-8,13-16H,3,9-12,17H2,1-2H3,(H,27,35).
What are the key properties of N-[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
N-[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118172900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).