[(5R)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone

C23H41N5O2 — CID 26223478

IUPAC[(5R)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCC(C)(C)CN(C)C)C2
InChIInChI=1S/C23H41N5O2/c1-17(2)14-28-20-8-7-18(24-15-23(3,4)16-26(5)6)13-19(20)21(25-28)22(29)27-9-11-30-12-10-27/h17-18,24H,7-16H2,1-6H3/t18-/m1/s1
InChIKeyZSIJGMUDFDEDHD-GOSISDBHSA-N
MW419.61 g/mol
LogP2.05
Rot. Bonds8

About [(5R)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone

[(5R)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 26223478) has the molecular formula C23H41N5O2 and a molecular weight of 419.61 g/mol. Its IUPAC name is [(5R)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(5R)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
PubChem CID26223478
Molecular FormulaC23H41N5O2
Molecular Weight419.61 g/mol
Exact Mass419.33
IUPAC Name[(5R)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCC(C)(C)CN(C)C)C2
InChIInChI=1S/C23H41N5O2/c1-17(2)14-28-20-8-7-18(24-15-23(3,4)16-26(5)6)13-19(20)21(25-28)22(29)27-9-11-30-12-10-27/h17-18,24H,7-16H2,1-6H3/t18-/m1/s1
InChIKeyZSIJGMUDFDEDHD-GOSISDBHSA-N
XLogP2.05
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.61
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-methylpropyl)-5-(3-methylsulfanylpropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45159658
[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-(2-methylpropyl)-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26227028
[5-[2-(cyclohexen-1-yl)ethylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45161370
[(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
[5-[(3-fluorophenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45163484
[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)-1-(2-methylpropyl)-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26223447
[(5S)-5-[(2,4-difluorophenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26140500

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(5R)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone (CID 26223478) is [(5R)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(5R)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(5R)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone is CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCC(C)(C)CN(C)C)C2.
What is the InChIKey of [(5R)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is ZSIJGMUDFDEDHD-GOSISDBHSA-N. The full InChI is InChI=1S/C23H41N5O2/c1-17(2)14-28-20-8-7-18(24-15-23(3,4)16-26(5)6)13-19(20)21(25-28)22(29)27-9-11-30-12-10-27/h17-18,24H,7-16H2,1-6H3/t18-/m1/s1.
What are the key properties of [(5R)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone?
[(5R)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 419.61 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 26223478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).