[(5R)-1-(2-methylpropyl)-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone

C23H33N5O — CID 26134882

IUPAC[(5R)-1-(2-methylpropyl)-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCCc1cccnc1)C2
InChIInChI=1S/C23H33N5O/c1-17(2)16-28-21-8-7-19(25-11-9-18-6-5-10-24-15-18)14-20(21)22(26-28)23(29)27-12-3-4-13-27/h5-6,10,15,17,19,25H,3-4,7-9,11-14,16H2,1-2H3/t19-/m1/s1
InChIKeyLEUYRZYXOPAVGI-LJQANCHMSA-N
MW395.55 g/mol
LogP2.86
Rot. Bonds7

About [(5R)-1-(2-methylpropyl)-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone

[(5R)-1-(2-methylpropyl)-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 26134882) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is [(5R)-1-(2-methylpropyl)-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(5R)-1-(2-methylpropyl)-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID26134882
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name[(5R)-1-(2-methylpropyl)-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCCc1cccnc1)C2
InChIInChI=1S/C23H33N5O/c1-17(2)16-28-21-8-7-19(25-11-9-18-6-5-10-24-15-18)14-20(21)22(26-28)23(29)27-12-3-4-13-27/h5-6,10,15,17,19,25H,3-4,7-9,11-14,16H2,1-2H3/t19-/m1/s1
InChIKeyLEUYRZYXOPAVGI-LJQANCHMSA-N
XLogP2.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

piperidin-1-yl-[1-propyl-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45159093
[(5S)-1-(2-methylpropyl)-5-(2-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26234647
[5-(3-methylbutylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45162186
[1-ethyl-5-(2-phenylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45164558
azepan-1-yl-[5-(2-phenylethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 158514378
[5-(cyclopropylmethylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45163430
[(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-(cyclopropylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45162178
azepan-1-yl-[(5R)-1-prop-2-enyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 26147670
[1-methyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 122684082
[(5R)-5-[(1-hydroxycyclohexyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26220538

Frequently Asked Questions

What is the IUPAC name of [(5R)-1-(2-methylpropyl)-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(5R)-1-(2-methylpropyl)-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone (CID 26134882) is [(5R)-1-(2-methylpropyl)-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(5R)-1-(2-methylpropyl)-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(5R)-1-(2-methylpropyl)-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone is CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCCc1cccnc1)C2.
What is the InChIKey of [(5R)-1-(2-methylpropyl)-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LEUYRZYXOPAVGI-LJQANCHMSA-N. The full InChI is InChI=1S/C23H33N5O/c1-17(2)16-28-21-8-7-19(25-11-9-18-6-5-10-24-15-18)14-20(21)22(26-28)23(29)27-12-3-4-13-27/h5-6,10,15,17,19,25H,3-4,7-9,11-14,16H2,1-2H3/t19-/m1/s1.
What are the key properties of [(5R)-1-(2-methylpropyl)-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
[(5R)-1-(2-methylpropyl)-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 395.55 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-1-(2-methylpropyl)-5-(2-pyridin-3-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 26134882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).