[(5R)-1-ethyl-5-[2-(4-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone

C23H32N4O3 — CID 26143914

IUPAC[(5R)-1-ethyl-5-[2-(4-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
SMILESCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCCc1ccc(OC)cc1)C2
InChIInChI=1S/C23H32N4O3/c1-3-27-21-9-6-18(24-11-10-17-4-7-19(29-2)8-5-17)16-20(21)22(25-27)23(28)26-12-14-30-15-13-26/h4-5,7-8,18,24H,3,6,9-16H2,1-2H3/t18-/m1/s1
InChIKeyDEYSIEZDWYTNRL-GOSISDBHSA-N
MW412.53 g/mol
LogP2.07
Rot. Bonds7

About [(5R)-1-ethyl-5-[2-(4-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone

[(5R)-1-ethyl-5-[2-(4-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 26143914) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is [(5R)-1-ethyl-5-[2-(4-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(5R)-1-ethyl-5-[2-(4-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
PubChem CID26143914
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name[(5R)-1-ethyl-5-[2-(4-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
SMILESCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCCc1ccc(OC)cc1)C2
InChIInChI=1S/C23H32N4O3/c1-3-27-21-9-6-18(24-11-10-17-4-7-19(29-2)8-5-17)16-20(21)22(25-27)23(28)26-12-14-30-15-13-26/h4-5,7-8,18,24H,3,6,9-16H2,1-2H3/t18-/m1/s1
InChIKeyDEYSIEZDWYTNRL-GOSISDBHSA-N
XLogP2.07
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(5R)-5-[2-(4-methoxyphenyl)ethylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26227269
[1-ethyl-5-[(4-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45160528
[(5S)-5-[2-(4-chlorophenyl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26136109
[5-[2-(4-chlorophenyl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45159755
[1-ethyl-5-(2-phenylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45164558
[5-[2-(4-morpholin-4-ylphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 167341646
[1-ethyl-5-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45164183
[1-ethyl-5-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45161243
morpholin-4-yl-[5-(3-phenylpropylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45161772
[(5S)-1-(2-methylpropyl)-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26223447
[(5R)-1-ethyl-5-(2-thiophen-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 26142283
[(5R)-1-ethyl-5-(2-piperidin-1-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 29124255

Frequently Asked Questions

What is the IUPAC name of [(5R)-1-ethyl-5-[2-(4-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(5R)-1-ethyl-5-[2-(4-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone (CID 26143914) is [(5R)-1-ethyl-5-[2-(4-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(5R)-1-ethyl-5-[2-(4-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(5R)-1-ethyl-5-[2-(4-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone is CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCCc1ccc(OC)cc1)C2.
What is the InChIKey of [(5R)-1-ethyl-5-[2-(4-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is DEYSIEZDWYTNRL-GOSISDBHSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-3-27-21-9-6-18(24-11-10-17-4-7-19(29-2)8-5-17)16-20(21)22(25-27)23(28)26-12-14-30-15-13-26/h4-5,7-8,18,24H,3,6,9-16H2,1-2H3/t18-/m1/s1.
What are the key properties of [(5R)-1-ethyl-5-[2-(4-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
[(5R)-1-ethyl-5-[2-(4-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 412.53 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-1-ethyl-5-[2-(4-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 26143914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).