3-[6-methyl-4-[[(2S)-2-(propan-2-ylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide

C24H33N5O3S — CID 53326245

IUPAC3-[6-methyl-4-[[(2S)-2-(propan-2-ylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide
SMILESCc1cc(NC[C@H](C)NS(=O)(=O)C(C)C)c2cnn(-c3cccc(C(=O)NC(C)C)c3)c2c1
InChIInChI=1S/C24H33N5O3S/c1-15(2)27-24(30)19-8-7-9-20(12-19)29-23-11-17(5)10-22(21(23)14-26-29)25-13-18(6)28-33(31,32)16(3)4/h7-12,14-16,18,25,28H,13H2,1-6H3,(H,27,30)/t18-/m0/s1
InChIKeyLYOSAMSHOLOGTO-SFHVURJKSA-N
MW471.63 g/mol
LogP3.60
Rot. Bonds9

About 3-[6-methyl-4-[[(2S)-2-(propan-2-ylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide

3-[6-methyl-4-[[(2S)-2-(propan-2-ylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide (PubChem CID 53326245) has the molecular formula C24H33N5O3S and a molecular weight of 471.63 g/mol. Its IUPAC name is 3-[6-methyl-4-[[(2S)-2-(propan-2-ylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[6-methyl-4-[[(2S)-2-(propan-2-ylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide
PubChem CID53326245
Molecular FormulaC24H33N5O3S
Molecular Weight471.63 g/mol
Exact Mass471.23
IUPAC Name3-[6-methyl-4-[[(2S)-2-(propan-2-ylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide
SMILESCc1cc(NC[C@H](C)NS(=O)(=O)C(C)C)c2cnn(-c3cccc(C(=O)NC(C)C)c3)c2c1
InChIInChI=1S/C24H33N5O3S/c1-15(2)27-24(30)19-8-7-9-20(12-19)29-23-11-17(5)10-22(21(23)14-26-29)25-13-18(6)28-33(31,32)16(3)4/h7-12,14-16,18,25,28H,13H2,1-6H3,(H,27,30)/t18-/m0/s1
InChIKeyLYOSAMSHOLOGTO-SFHVURJKSA-N
XLogP3.60
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.63
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-4-[[(2S)-2-(propan-2-ylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[6-methyl-4-[[(2S)-2-(propan-2-ylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide (CID 53326245) is 3-[6-methyl-4-[[(2S)-2-(propan-2-ylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[6-methyl-4-[[(2S)-2-(propan-2-ylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[6-methyl-4-[[(2S)-2-(propan-2-ylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide is Cc1cc(NC[C@H](C)NS(=O)(=O)C(C)C)c2cnn(-c3cccc(C(=O)NC(C)C)c3)c2c1.
What is the InChIKey of 3-[6-methyl-4-[[(2S)-2-(propan-2-ylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide?
The InChIKey is LYOSAMSHOLOGTO-SFHVURJKSA-N. The full InChI is InChI=1S/C24H33N5O3S/c1-15(2)27-24(30)19-8-7-9-20(12-19)29-23-11-17(5)10-22(21(23)14-26-29)25-13-18(6)28-33(31,32)16(3)4/h7-12,14-16,18,25,28H,13H2,1-6H3,(H,27,30)/t18-/m0/s1.
What are the key properties of 3-[6-methyl-4-[[(2S)-2-(propan-2-ylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide?
3-[6-methyl-4-[[(2S)-2-(propan-2-ylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide has a molecular weight of 471.63 g/mol, XLogP of 3.60, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-4-[[(2S)-2-(propan-2-ylsulfonylamino)propyl]amino]indazol-1-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 53326245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).