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

C24H34N4O3 — CID 26139947

IUPAC[(5S)-5-[(2-methoxyphenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1CN[C@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1
InChIInChI=1S/C24H34N4O3/c1-17(2)16-28-21-9-8-19(25-15-18-6-4-5-7-22(18)30-3)14-20(21)23(26-28)24(29)27-10-12-31-13-11-27/h4-7,17,19,25H,8-16H2,1-3H3/t19-/m0/s1
InChIKeyGOOVECYYJXLHJB-IBGZPJMESA-N
MW426.56 g/mol
LogP2.67
Rot. Bonds7

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

[(5S)-5-[(2-methoxyphenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 26139947) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is [(5S)-5-[(2-methoxyphenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(5S)-5-[(2-methoxyphenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
PubChem CID26139947
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name[(5S)-5-[(2-methoxyphenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1CN[C@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1
InChIInChI=1S/C24H34N4O3/c1-17(2)16-28-21-9-8-19(25-15-18-6-4-5-7-22(18)30-3)14-20(21)23(26-28)24(29)27-10-12-31-13-11-27/h4-7,17,19,25H,8-16H2,1-3H3/t19-/m0/s1
InChIKeyGOOVECYYJXLHJB-IBGZPJMESA-N
XLogP2.67
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[(2,5-difluorophenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45162243
[(5S)-5-[(2,5-difluorophenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26219525
[(5S)-5-[(2,4-difluorophenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26140500
[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
[5-[(3-fluorophenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45163484
[5-[(2-methoxyphenyl)methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 45165411
[(5S)-1-(2-methylpropyl)-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26223447
[(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
[(5R)-1-(2-methylpropyl)-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26227028
[1-(2-methylpropyl)-5-(3-methylsulfanylpropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45159658

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-[(2-methoxyphenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(5S)-5-[(2-methoxyphenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone (CID 26139947) is [(5S)-5-[(2-methoxyphenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(5S)-5-[(2-methoxyphenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(5S)-5-[(2-methoxyphenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone is COc1ccccc1CN[C@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1.
What is the InChIKey of [(5S)-5-[(2-methoxyphenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is GOOVECYYJXLHJB-IBGZPJMESA-N. The full InChI is InChI=1S/C24H34N4O3/c1-17(2)16-28-21-9-8-19(25-15-18-6-4-5-7-22(18)30-3)14-20(21)23(26-28)24(29)27-10-12-31-13-11-27/h4-7,17,19,25H,8-16H2,1-3H3/t19-/m0/s1.
What are the key properties of [(5S)-5-[(2-methoxyphenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
[(5S)-5-[(2-methoxyphenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 426.56 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-[(2-methoxyphenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 26139947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).