2-[6-(6-fluoro-1H-indol-4-yl)-1H-indazol-4-yl]-2-morpholin-4-ylacetamide

C21H20FN5O2 — CID 67227226

IUPAC2-[6-(6-fluoro-1H-indol-4-yl)-1H-indazol-4-yl]-2-morpholin-4-ylacetamide
SMILESNC(=O)C(c1cc(-c2cc(F)cc3[nH]ccc23)cc2[nH]ncc12)N1CCOCC1
InChIInChI=1S/C21H20FN5O2/c22-13-9-15(14-1-2-24-18(14)10-13)12-7-16(17-11-25-26-19(17)8-12)20(21(23)28)27-3-5-29-6-4-27/h1-2,7-11,20,24H,3-6H2,(H2,23,28)(H,25,26)
InChIKeyLAEWQLASWMCIGA-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.71
Rot. Bonds4

About 2-[6-(6-fluoro-1H-indol-4-yl)-1H-indazol-4-yl]-2-morpholin-4-ylacetamide

2-[6-(6-fluoro-1H-indol-4-yl)-1H-indazol-4-yl]-2-morpholin-4-ylacetamide (PubChem CID 67227226) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-[6-(6-fluoro-1H-indol-4-yl)-1H-indazol-4-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound Name2-[6-(6-fluoro-1H-indol-4-yl)-1H-indazol-4-yl]-2-morpholin-4-ylacetamide
PubChem CID67227226
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name2-[6-(6-fluoro-1H-indol-4-yl)-1H-indazol-4-yl]-2-morpholin-4-ylacetamide
SMILESNC(=O)C(c1cc(-c2cc(F)cc3[nH]ccc23)cc2[nH]ncc12)N1CCOCC1
InChIInChI=1S/C21H20FN5O2/c22-13-9-15(14-1-2-24-18(14)10-13)12-7-16(17-11-25-26-19(17)8-12)20(21(23)28)27-3-5-29-6-4-27/h1-2,7-11,20,24H,3-6H2,(H2,23,28)(H,25,26)
InChIKeyLAEWQLASWMCIGA-UHFFFAOYSA-N
XLogP2.71
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(Morpholin-4-ylmethyl)-1h-indol-2-yl]-1h-indazole-6-carboxamide
CID 135559056
N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-indazole-6-carboxamide
CID 135559057
3-(Indol-2-yl)indazole 10
CID 135559058
4-({2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559059
4-({2-[6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559060
4-({2-[6-(1H-pyrazol-5-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559061
3-(5-(morpholinomethyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 44419980
3-(5-((4-(2-methoxyacetyl)piperazin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 44419987
N-[6-(1H-Indol-4-yl)-1H-indazol-4-yl]-2-pyridinecarboxamide
CID 44540407
N-(2-hydroxyethyl)-4-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]pyridine-2-carboxamide
CID 89783069
N-(1H-indazol-5-yl)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide
CID 156291609
N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide
CID 22978276

Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-fluoro-1H-indol-4-yl)-1H-indazol-4-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of 2-[6-(6-fluoro-1H-indol-4-yl)-1H-indazol-4-yl]-2-morpholin-4-ylacetamide (CID 67227226) is 2-[6-(6-fluoro-1H-indol-4-yl)-1H-indazol-4-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for 2-[6-(6-fluoro-1H-indol-4-yl)-1H-indazol-4-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for 2-[6-(6-fluoro-1H-indol-4-yl)-1H-indazol-4-yl]-2-morpholin-4-ylacetamide is NC(=O)C(c1cc(-c2cc(F)cc3[nH]ccc23)cc2[nH]ncc12)N1CCOCC1.
What is the InChIKey of 2-[6-(6-fluoro-1H-indol-4-yl)-1H-indazol-4-yl]-2-morpholin-4-ylacetamide?
The InChIKey is LAEWQLASWMCIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-13-9-15(14-1-2-24-18(14)10-13)12-7-16(17-11-25-26-19(17)8-12)20(21(23)28)27-3-5-29-6-4-27/h1-2,7-11,20,24H,3-6H2,(H2,23,28)(H,25,26).
What are the key properties of 2-[6-(6-fluoro-1H-indol-4-yl)-1H-indazol-4-yl]-2-morpholin-4-ylacetamide?
2-[6-(6-fluoro-1H-indol-4-yl)-1H-indazol-4-yl]-2-morpholin-4-ylacetamide has a molecular weight of 393.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6-fluoro-1H-indol-4-yl)-1H-indazol-4-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 67227226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).