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

C21H20F3N5O4 — CID 118173075

IUPACN-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C21H20F3N5O4/c1-32-17-10-15-13(11-29(27-15)12-19(30)28-5-7-33-8-6-28)9-16(17)26-20(31)14-3-2-4-18(25-14)21(22,23)24/h2-4,9-11H,5-8,12H2,1H3,(H,26,31)
InChIKeyHRNKXLATVXBONQ-UHFFFAOYSA-N
MW463.42 g/mol
LogP2.57
Rot. Bonds5

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

N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118173075) has the molecular formula C21H20F3N5O4 and a molecular weight of 463.42 g/mol. Its IUPAC name is N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118173075
Molecular FormulaC21H20F3N5O4
Molecular Weight463.42 g/mol
Exact Mass463.15
IUPAC NameN-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C21H20F3N5O4/c1-32-17-10-15-13(11-29(27-15)12-19(30)28-5-7-33-8-6-28)9-16(17)26-20(31)14-3-2-4-18(25-14)21(22,23)24/h2-4,9-11H,5-8,12H2,1H3,(H,26,31)
InChIKeyHRNKXLATVXBONQ-UHFFFAOYSA-N
XLogP2.57
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

N-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 44449334
US9951086, Example 68
CID 118173098
N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11057969
5-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 57400556
N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 137635364
N-[4-[4-[2-(2-(18F)fluoroethoxy)phenyl]piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 137649435
7-Methoxy-1-[2-(4-morpholinyl)ethyl]-N-(phenyl-2-pyridinylmethyl)-1H-indazole-3-carboxamide
CID 10906799
N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
CID 50898239
US9951086, Example 220
CID 118172527
US9951086, Example 46
CID 118172648
US9951086, Example 69
CID 118172658
US9951086, Example 221
CID 118172833

Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118173075) is N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is HRNKXLATVXBONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O4/c1-32-17-10-15-13(11-29(27-15)12-19(30)28-5-7-33-8-6-28)9-16(17)26-20(31)14-3-2-4-18(25-14)21(22,23)24/h2-4,9-11H,5-8,12H2,1H3,(H,26,31).
What are the key properties of N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 463.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118173075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).