[(5S)-5-[2-(4-chlorophenyl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone

C24H33ClN4O2 — CID 26136109

IUPAC[(5S)-5-[2-(4-chlorophenyl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCCc1ccc(Cl)cc1)C2
InChIInChI=1S/C24H33ClN4O2/c1-17(2)16-29-22-8-7-20(26-10-9-18-3-5-19(25)6-4-18)15-21(22)23(27-29)24(30)28-11-13-31-14-12-28/h3-6,17,20,26H,7-16H2,1-2H3/t20-/m0/s1
InChIKeyJOOUYDDBRKZQOT-FQEVSTJZSA-N
MW445.01 g/mol
LogP3.35
Rot. Bonds7

About [(5S)-5-[2-(4-chlorophenyl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone

[(5S)-5-[2-(4-chlorophenyl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 26136109) has the molecular formula C24H33ClN4O2 and a molecular weight of 445.01 g/mol. Its IUPAC name is [(5S)-5-[2-(4-chlorophenyl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(5S)-5-[2-(4-chlorophenyl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
PubChem CID26136109
Molecular FormulaC24H33ClN4O2
Molecular Weight445.01 g/mol
Exact Mass444.23
IUPAC Name[(5S)-5-[2-(4-chlorophenyl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCCc1ccc(Cl)cc1)C2
InChIInChI=1S/C24H33ClN4O2/c1-17(2)16-29-22-8-7-20(26-10-9-18-3-5-19(25)6-4-18)15-21(22)23(27-29)24(30)28-11-13-31-14-12-28/h3-6,17,20,26H,7-16H2,1-2H3/t20-/m0/s1
InChIKeyJOOUYDDBRKZQOT-FQEVSTJZSA-N
XLogP3.35
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.01
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[2-(4-chlorophenyl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45159755
[5-[2-(cyclohexen-1-yl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45161370
[(5S)-5-[(2,5-difluorophenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26219525
[5-[(2,5-difluorophenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45162243
[1-(2-methylpropyl)-5-(3-methylsulfanylpropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45159658
[(5R)-1-(2-methylpropyl)-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26227028
[5-[(2,6-difluorophenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45165062
[(5R)-5-[(2,6-difluorophenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26213807
[(5R)-1-ethyl-5-[2-(4-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26143914
[(5S)-5-[(2,4-difluorophenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26140500
[(5S)-1-(2-methylpropyl)-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26223447
[(5S)-5-[(2-methoxyphenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26139947

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-[2-(4-chlorophenyl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(5S)-5-[2-(4-chlorophenyl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone (CID 26136109) is [(5S)-5-[2-(4-chlorophenyl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(5S)-5-[2-(4-chlorophenyl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(5S)-5-[2-(4-chlorophenyl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone is CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCCc1ccc(Cl)cc1)C2.
What is the InChIKey of [(5S)-5-[2-(4-chlorophenyl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is JOOUYDDBRKZQOT-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H33ClN4O2/c1-17(2)16-29-22-8-7-20(26-10-9-18-3-5-19(25)6-4-18)15-21(22)23(27-29)24(30)28-11-13-31-14-12-28/h3-6,17,20,26H,7-16H2,1-2H3/t20-/m0/s1.
What are the key properties of [(5S)-5-[2-(4-chlorophenyl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
[(5S)-5-[2-(4-chlorophenyl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 445.01 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-[2-(4-chlorophenyl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 26136109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).