N-[2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C26H27F3N6O3 — CID 118182663

IUPACN-[2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCC(C(=O)N4CCCC4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C26H27F3N6O3/c27-26(28,29)22-5-3-4-21(31-22)24(37)30-19-6-7-20-18(14-19)15-35(32-20)16-23(36)33-12-8-17(9-13-33)25(38)34-10-1-2-11-34/h3-7,14-15,17H,1-2,8-13,16H2,(H,30,37)
InChIKeyCBGCVYYHKIFFND-UHFFFAOYSA-N
MW528.54 g/mol
LogP3.56
Rot. Bonds5

About N-[2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118182663) has the molecular formula C26H27F3N6O3 and a molecular weight of 528.54 g/mol. Its IUPAC name is N-[2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118182663
Molecular FormulaC26H27F3N6O3
Molecular Weight528.54 g/mol
Exact Mass528.21
IUPAC NameN-[2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCC(C(=O)N4CCCC4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C26H27F3N6O3/c27-26(28,29)22-5-3-4-21(31-22)24(37)30-19-6-7-20-18(14-19)15-35(32-20)16-23(36)33-12-8-17(9-13-33)25(38)34-10-1-2-11-34/h3-7,14-15,17H,1-2,8-13,16H2,(H,30,37)
InChIKeyCBGCVYYHKIFFND-UHFFFAOYSA-N
XLogP3.56
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118182663) is N-[2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1ccc2nn(CC(=O)N3CCC(C(=O)N4CCCC4)CC3)cc2c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is CBGCVYYHKIFFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N6O3/c27-26(28,29)22-5-3-4-21(31-22)24(37)30-19-6-7-20-18(14-19)15-35(32-20)16-23(36)33-12-8-17(9-13-33)25(38)34-10-1-2-11-34/h3-7,14-15,17H,1-2,8-13,16H2,(H,30,37).
What are the key properties of N-[2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 528.54 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118182663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).