1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6S)-6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea

C23H29N5O5S — CID 146225647

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6S)-6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea
SMILESCOC1CN([C@@H]2COc3c(S(=O)(=O)NC(=O)Nc4c5c(cc6c4CCC6)CCC5)cnn3C2)C1
InChIInChI=1S/C23H29N5O5S/c1-32-17-11-27(12-17)16-10-28-22(33-13-16)20(9-24-28)34(30,31)26-23(29)25-21-18-6-2-4-14(18)8-15-5-3-7-19(15)21/h8-9,16-17H,2-7,10-13H2,1H3,(H2,25,26,29)/t16-/m0/s1
InChIKeyTYGORWHFDBOYDY-INIZCTEOSA-N
MW487.58 g/mol
LogP1.46
Rot. Bonds5

About 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6S)-6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6S)-6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea (PubChem CID 146225647) has the molecular formula C23H29N5O5S and a molecular weight of 487.58 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6S)-6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6S)-6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea
PubChem CID146225647
Molecular FormulaC23H29N5O5S
Molecular Weight487.58 g/mol
Exact Mass487.19
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6S)-6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea
SMILESCOC1CN([C@@H]2COc3c(S(=O)(=O)NC(=O)Nc4c5c(cc6c4CCC6)CCC5)cnn3C2)C1
InChIInChI=1S/C23H29N5O5S/c1-32-17-11-27(12-17)16-10-28-22(33-13-16)20(9-24-28)34(30,31)26-23(29)25-21-18-6-2-4-14(18)8-15-5-3-7-19(15)21/h8-9,16-17H,2-7,10-13H2,1H3,(H2,25,26,29)/t16-/m0/s1
InChIKeyTYGORWHFDBOYDY-INIZCTEOSA-N
XLogP1.46
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6S)-6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6S)-6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6S)-6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea (CID 146225647) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6S)-6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6S)-6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6S)-6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea is COC1CN([C@@H]2COc3c(S(=O)(=O)NC(=O)Nc4c5c(cc6c4CCC6)CCC5)cnn3C2)C1.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6S)-6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea?
The InChIKey is TYGORWHFDBOYDY-INIZCTEOSA-N. The full InChI is InChI=1S/C23H29N5O5S/c1-32-17-11-27(12-17)16-10-28-22(33-13-16)20(9-24-28)34(30,31)26-23(29)25-21-18-6-2-4-14(18)8-15-5-3-7-19(15)21/h8-9,16-17H,2-7,10-13H2,1H3,(H2,25,26,29)/t16-/m0/s1.
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6S)-6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6S)-6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea has a molecular weight of 487.58 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6S)-6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea is sourced from PubChem (CID 146225647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).