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

C22H26N6O2 — CID 118173064

IUPAC6-ethyl-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
SMILESCCc1cccc(C(=O)Nc2ccc3nn(CC(=O)N4CCN(C)CC4)cc3c2)n1
InChIInChI=1S/C22H26N6O2/c1-3-17-5-4-6-20(23-17)22(30)24-18-7-8-19-16(13-18)14-28(25-19)15-21(29)27-11-9-26(2)10-12-27/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,24,30)
InChIKeyIPEZZTAQBOPUBN-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.02
Rot. Bonds5

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

6-ethyl-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide (PubChem CID 118173064) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-ethyl-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
PubChem CID118173064
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name6-ethyl-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
SMILESCCc1cccc(C(=O)Nc2ccc3nn(CC(=O)N4CCN(C)CC4)cc3c2)n1
InChIInChI=1S/C22H26N6O2/c1-3-17-5-4-6-20(23-17)22(30)24-18-7-8-19-16(13-18)14-28(25-19)15-21(29)27-11-9-26(2)10-12-27/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,24,30)
InChIKeyIPEZZTAQBOPUBN-UHFFFAOYSA-N
XLogP2.02
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-ethyl-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide (CID 118173064) is 6-ethyl-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-ethyl-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-ethyl-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide is CCc1cccc(C(=O)Nc2ccc3nn(CC(=O)N4CCN(C)CC4)cc3c2)n1.
What is the InChIKey of 6-ethyl-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is IPEZZTAQBOPUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-3-17-5-4-6-20(23-17)22(30)24-18-7-8-19-16(13-18)14-28(25-19)15-21(29)27-11-9-26(2)10-12-27/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,24,30).
What are the key properties of 6-ethyl-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
6-ethyl-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118173064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).