N-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C22H22F3N5O4 — CID 122637001

IUPACN-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H22F3N5O4/c1-2-34-18-11-16-14(12-30(28-16)13-20(31)29-6-8-33-9-7-29)10-17(18)27-21(32)15-4-3-5-19(26-15)22(23,24)25/h3-5,10-12H,2,6-9,13H2,1H3,(H,27,32)
InChIKeyVDZFJGBNFBEPBN-UHFFFAOYSA-N
MW477.44 g/mol
LogP2.96
Rot. Bonds6

About N-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 122637001) has the molecular formula C22H22F3N5O4 and a molecular weight of 477.44 g/mol. Its IUPAC name is N-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID122637001
Molecular FormulaC22H22F3N5O4
Molecular Weight477.44 g/mol
Exact Mass477.16
IUPAC NameN-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H22F3N5O4/c1-2-34-18-11-16-14(12-30(28-16)13-20(31)29-6-8-33-9-7-29)10-17(18)27-21(32)15-4-3-5-19(26-15)22(23,24)25/h3-5,10-12H,2,6-9,13H2,1H3,(H,27,32)
InChIKeyVDZFJGBNFBEPBN-UHFFFAOYSA-N
XLogP2.96
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 122637001) is N-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is VDZFJGBNFBEPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O4/c1-2-34-18-11-16-14(12-30(28-16)13-20(31)29-6-8-33-9-7-29)10-17(18)27-21(32)15-4-3-5-19(26-15)22(23,24)25/h3-5,10-12H,2,6-9,13H2,1H3,(H,27,32).
What are the key properties of N-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 477.44 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 122637001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).