N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-1-ethylpyrazole-3-carboxamide

C26H27N7O3 — CID 118182648

IUPACN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc3nn(CC(=O)N4CCN(C(=O)c5ccccc5)CC4)cc3c2)n1
InChIInChI=1S/C26H27N7O3/c1-2-32-11-10-23(29-32)25(35)27-21-8-9-22-20(16-21)17-33(28-22)18-24(34)30-12-14-31(15-13-30)26(36)19-6-4-3-5-7-19/h3-11,16-17H,2,12-15,18H2,1H3,(H,27,35)
InChIKeyNVSNQNDGOZXEOX-UHFFFAOYSA-N
MW485.55 g/mol
LogP2.49
Rot. Bonds6

About N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-1-ethylpyrazole-3-carboxamide

N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-1-ethylpyrazole-3-carboxamide (PubChem CID 118182648) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-1-ethylpyrazole-3-carboxamide
PubChem CID118182648
Molecular FormulaC26H27N7O3
Molecular Weight485.55 g/mol
Exact Mass485.22
IUPAC NameN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc3nn(CC(=O)N4CCN(C(=O)c5ccccc5)CC4)cc3c2)n1
InChIInChI=1S/C26H27N7O3/c1-2-32-11-10-23(29-32)25(35)27-21-8-9-22-20(16-21)17-33(28-22)18-24(34)30-12-14-31(15-13-30)26(36)19-6-4-3-5-7-19/h3-11,16-17H,2,12-15,18H2,1H3,(H,27,35)
InChIKeyNVSNQNDGOZXEOX-UHFFFAOYSA-N
XLogP2.49
TPSA105.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 52.49
H-Bond Donors ≤ 51
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]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-1-ethylpyrazole-3-carboxamide (CID 118182648) is N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-1-ethylpyrazole-3-carboxamide is CCn1ccc(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]-1-ethylpyrazole-3-carboxamide?
The InChIKey is NVSNQNDGOZXEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3/c1-2-32-11-10-23(29-32)25(35)27-21-8-9-22-20(16-21)17-33(28-22)18-24(34)30-12-14-31(15-13-30)26(36)19-6-4-3-5-7-19/h3-11,16-17H,2,12-15,18H2,1H3,(H,27,35).
What are the key properties of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-1-ethylpyrazole-3-carboxamide?
N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 485.55 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 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]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 118182648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).