N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C24H23F3N6O3 — CID 118172947

IUPACN-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCN(C(=O)C4CC4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H23F3N6O3/c25-24(26,27)20-3-1-2-19(29-20)22(35)28-17-6-7-18-16(12-17)13-33(30-18)14-21(34)31-8-10-32(11-9-31)23(36)15-4-5-15/h1-3,6-7,12-13,15H,4-5,8-11,14H2,(H,28,35)
InChIKeyFTHWHLPYNSGTFI-UHFFFAOYSA-N
MW500.48 g/mol
LogP2.78
Rot. Bonds5

About N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118172947) has the molecular formula C24H23F3N6O3 and a molecular weight of 500.48 g/mol. Its IUPAC name is N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118172947
Molecular FormulaC24H23F3N6O3
Molecular Weight500.48 g/mol
Exact Mass500.18
IUPAC NameN-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCN(C(=O)C4CC4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H23F3N6O3/c25-24(26,27)20-3-1-2-19(29-20)22(35)28-17-6-7-18-16(12-17)13-33(30-18)14-21(34)31-8-10-32(11-9-31)23(36)15-4-5-15/h1-3,6-7,12-13,15H,4-5,8-11,14H2,(H,28,35)
InChIKeyFTHWHLPYNSGTFI-UHFFFAOYSA-N
XLogP2.78
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118172947) is N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1ccc2nn(CC(=O)N3CCN(C(=O)C4CC4)CC3)cc2c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is FTHWHLPYNSGTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O3/c25-24(26,27)20-3-1-2-19(29-20)22(35)28-17-6-7-18-16(12-17)13-33(30-18)14-21(34)31-8-10-32(11-9-31)23(36)15-4-5-15/h1-3,6-7,12-13,15H,4-5,8-11,14H2,(H,28,35).
What are the key properties of N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 500.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).