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

C30H28N8O3 — CID 118182571

IUPACN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCc1[nH]ncc1-c1cccc(C(=O)Nc2ccc3nn(CC(=O)N4CCN(C(=O)c5ccccc5)CC4)cc3c2)n1
InChIInChI=1S/C30H28N8O3/c1-20-24(17-31-34-20)26-8-5-9-27(33-26)29(40)32-23-10-11-25-22(16-23)18-38(35-25)19-28(39)36-12-14-37(15-13-36)30(41)21-6-3-2-4-7-21/h2-11,16-18H,12-15,19H2,1H3,(H,31,34)(H,32,40)
InChIKeyRRCQFFJJZVWZFB-UHFFFAOYSA-N
MW548.61 g/mol
LogP3.37
Rot. Bonds6

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

N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 118182571) has the molecular formula C30H28N8O3 and a molecular weight of 548.61 g/mol. Its IUPAC name is N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID118182571
Molecular FormulaC30H28N8O3
Molecular Weight548.61 g/mol
Exact Mass548.23
IUPAC NameN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCc1[nH]ncc1-c1cccc(C(=O)Nc2ccc3nn(CC(=O)N4CCN(C(=O)c5ccccc5)CC4)cc3c2)n1
InChIInChI=1S/C30H28N8O3/c1-20-24(17-31-34-20)26-8-5-9-27(33-26)29(40)32-23-10-11-25-22(16-23)18-38(35-25)19-28(39)36-12-14-37(15-13-36)30(41)21-6-3-2-4-7-21/h2-11,16-18H,12-15,19H2,1H3,(H,31,34)(H,32,40)
InChIKeyRRCQFFJJZVWZFB-UHFFFAOYSA-N
XLogP3.37
TPSA129.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.61
LogP ≤ 53.37
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-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 118182571) is N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide is Cc1[nH]ncc1-c1cccc(C(=O)Nc2ccc3nn(CC(=O)N4CCN(C(=O)c5ccccc5)CC4)cc3c2)n1.
What is the InChIKey of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is RRCQFFJJZVWZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N8O3/c1-20-24(17-31-34-20)26-8-5-9-27(33-26)29(40)32-23-10-11-25-22(16-23)18-38(35-25)19-28(39)36-12-14-37(15-13-36)30(41)21-6-3-2-4-7-21/h2-11,16-18H,12-15,19H2,1H3,(H,31,34)(H,32,40).
What are the key properties of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide?
N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 548.61 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118182571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).