N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-[3-(trifluoromethyl)pyrazolidin-4-yl]pyridine-2-carboxamide

C24H27F3N8O2 — CID 146011685

IUPACN-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-[3-(trifluoromethyl)pyrazolidin-4-yl]pyridine-2-carboxamide
SMILESCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C5CNNC5C(F)(F)F)n4)ccc3n2)CC1
InChIInChI=1S/C24H27F3N8O2/c1-33-7-9-34(10-8-33)21(36)14-35-13-15-11-16(5-6-18(15)32-35)29-23(37)20-4-2-3-19(30-20)17-12-28-31-22(17)24(25,26)27/h2-6,11,13,17,22,28,31H,7-10,12,14H2,1H3,(H,29,37)
InChIKeyHKIIVGKIEIIXBK-UHFFFAOYSA-N
MW516.53 g/mol
LogP1.58
Rot. Bonds5

About N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-[3-(trifluoromethyl)pyrazolidin-4-yl]pyridine-2-carboxamide

N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-[3-(trifluoromethyl)pyrazolidin-4-yl]pyridine-2-carboxamide (PubChem CID 146011685) has the molecular formula C24H27F3N8O2 and a molecular weight of 516.53 g/mol. Its IUPAC name is N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-[3-(trifluoromethyl)pyrazolidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-[3-(trifluoromethyl)pyrazolidin-4-yl]pyridine-2-carboxamide
PubChem CID146011685
Molecular FormulaC24H27F3N8O2
Molecular Weight516.53 g/mol
Exact Mass516.22
IUPAC NameN-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-[3-(trifluoromethyl)pyrazolidin-4-yl]pyridine-2-carboxamide
SMILESCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C5CNNC5C(F)(F)F)n4)ccc3n2)CC1
InChIInChI=1S/C24H27F3N8O2/c1-33-7-9-34(10-8-33)21(36)14-35-13-15-11-16(5-6-18(15)32-35)29-23(37)20-4-2-3-19(30-20)17-12-28-31-22(17)24(25,26)27/h2-6,11,13,17,22,28,31H,7-10,12,14H2,1H3,(H,29,37)
InChIKeyHKIIVGKIEIIXBK-UHFFFAOYSA-N
XLogP1.58
TPSA107.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.53
LogP ≤ 51.58
H-Bond Donors ≤ 53
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-[3-(trifluoromethyl)pyrazolidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-[3-(trifluoromethyl)pyrazolidin-4-yl]pyridine-2-carboxamide (CID 146011685) is N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-[3-(trifluoromethyl)pyrazolidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-[3-(trifluoromethyl)pyrazolidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-[3-(trifluoromethyl)pyrazolidin-4-yl]pyridine-2-carboxamide is CN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C5CNNC5C(F)(F)F)n4)ccc3n2)CC1.
What is the InChIKey of N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-[3-(trifluoromethyl)pyrazolidin-4-yl]pyridine-2-carboxamide?
The InChIKey is HKIIVGKIEIIXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N8O2/c1-33-7-9-34(10-8-33)21(36)14-35-13-15-11-16(5-6-18(15)32-35)29-23(37)20-4-2-3-19(30-20)17-12-28-31-22(17)24(25,26)27/h2-6,11,13,17,22,28,31H,7-10,12,14H2,1H3,(H,29,37).
What are the key properties of N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-[3-(trifluoromethyl)pyrazolidin-4-yl]pyridine-2-carboxamide?
N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-[3-(trifluoromethyl)pyrazolidin-4-yl]pyridine-2-carboxamide has a molecular weight of 516.53 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 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-[3-(trifluoromethyl)pyrazolidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146011685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).