2-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(2-pyrrolidin-1-ylethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

C27H30F3N5O4 — CID 157346296

IUPAC2-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(2-pyrrolidin-1-ylethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCCN1CCCC1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C27H30F3N5O4/c28-27(29,30)25-5-3-4-21(31-25)23(36)15-19-14-20-17-35(18-26(37)34-9-11-38-12-10-34)32-22(20)16-24(19)39-13-8-33-6-1-2-7-33/h3-5,14,16-17H,1-2,6-13,15,18H2
InChIKeyBGZXWGQTJDMPBM-UHFFFAOYSA-N
MW545.56 g/mol
LogP3.21
Rot. Bonds9

About 2-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(2-pyrrolidin-1-ylethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

2-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(2-pyrrolidin-1-ylethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 157346296) has the molecular formula C27H30F3N5O4 and a molecular weight of 545.56 g/mol. Its IUPAC name is 2-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(2-pyrrolidin-1-ylethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(2-pyrrolidin-1-ylethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID157346296
Molecular FormulaC27H30F3N5O4
Molecular Weight545.56 g/mol
Exact Mass545.22
IUPAC Name2-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(2-pyrrolidin-1-ylethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCCN1CCCC1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C27H30F3N5O4/c28-27(29,30)25-5-3-4-21(31-25)23(36)15-19-14-20-17-35(18-26(37)34-9-11-38-12-10-34)32-22(20)16-24(19)39-13-8-33-6-1-2-7-33/h3-5,14,16-17H,1-2,6-13,15,18H2
InChIKeyBGZXWGQTJDMPBM-UHFFFAOYSA-N
XLogP3.21
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.56
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(2-pyrrolidin-1-ylethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone with MolForge

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Related Compounds

1-morpholin-4-yl-2-[6-(2-morpholin-4-ylethoxy)-5-[6-(trifluoromethyl)-2-pyridinyl]indazol-2-yl]ethanone
CID 151503612
2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 147912054
2-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-6-ethoxyindazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 161363503
2-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-1-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]ethanone
CID 147437195
2-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158362016
ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate
CID 122650745
N-[6-(1-hydroxyethenyl)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182683
N-[6-(2-hydroxypropan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172910
2-[6-fluoro-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]acetic acid
CID 159504177
2-[2-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 157418877
3-[6-methoxy-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]-2-methylpropanoic acid
CID 147566197
2-[2-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 148748797

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(2-pyrrolidin-1-ylethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(2-pyrrolidin-1-ylethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 157346296) is 2-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(2-pyrrolidin-1-ylethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(2-pyrrolidin-1-ylethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(2-pyrrolidin-1-ylethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is O=C(Cc1cc2cn(CC(=O)N3CCOCC3)nc2cc1OCCN1CCCC1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(2-pyrrolidin-1-ylethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is BGZXWGQTJDMPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N5O4/c28-27(29,30)25-5-3-4-21(31-25)23(36)15-19-14-20-17-35(18-26(37)34-9-11-38-12-10-34)32-22(20)16-24(19)39-13-8-33-6-1-2-7-33/h3-5,14,16-17H,1-2,6-13,15,18H2.
What are the key properties of 2-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(2-pyrrolidin-1-ylethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
2-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(2-pyrrolidin-1-ylethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 545.56 g/mol, XLogP of 3.21, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(2-pyrrolidin-1-ylethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 157346296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).