3-[(2-methylpropan-2-yl)oxy]-N-[(5S)-2-(2-methylpyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide

C24H32N4O2 — CID 135294642

IUPAC3-[(2-methylpropan-2-yl)oxy]-N-[(5S)-2-(2-methylpyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide
SMILESCc1nccc(-c2ccc3c(c2)CCCC[C@@H]3NC(=O)N2CC(OC(C)(C)C)C2)n1
InChIInChI=1S/C24H32N4O2/c1-16-25-12-11-21(26-16)18-9-10-20-17(13-18)7-5-6-8-22(20)27-23(29)28-14-19(15-28)30-24(2,3)4/h9-13,19,22H,5-8,14-15H2,1-4H3,(H,27,29)/t22-/m0/s1
InChIKeyFFRYZFMJEIGSKY-QFIPXVFZSA-N
MW408.55 g/mol
LogP4.43
Rot. Bonds3

About 3-[(2-methylpropan-2-yl)oxy]-N-[(5S)-2-(2-methylpyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide

3-[(2-methylpropan-2-yl)oxy]-N-[(5S)-2-(2-methylpyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide (PubChem CID 135294642) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-N-[(5S)-2-(2-methylpyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-N-[(5S)-2-(2-methylpyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide
PubChem CID135294642
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-N-[(5S)-2-(2-methylpyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide
SMILESCc1nccc(-c2ccc3c(c2)CCCC[C@@H]3NC(=O)N2CC(OC(C)(C)C)C2)n1
InChIInChI=1S/C24H32N4O2/c1-16-25-12-11-21(26-16)18-9-10-20-17(13-18)7-5-6-8-22(20)27-23(29)28-14-19(15-28)30-24(2,3)4/h9-13,19,22H,5-8,14-15H2,1-4H3,(H,27,29)/t22-/m0/s1
InChIKeyFFRYZFMJEIGSKY-QFIPXVFZSA-N
XLogP4.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-methylpropan-2-yl)oxy]-N-[(5S)-2-(2-methylpyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide 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 3-[(2-methylpropan-2-yl)oxy]-N-[(5S)-2-(2-methylpyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-[(5S)-2-(2-methylpyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide (CID 135294642) is 3-[(2-methylpropan-2-yl)oxy]-N-[(5S)-2-(2-methylpyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-N-[(5S)-2-(2-methylpyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-N-[(5S)-2-(2-methylpyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide is Cc1nccc(-c2ccc3c(c2)CCCC[C@@H]3NC(=O)N2CC(OC(C)(C)C)C2)n1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-N-[(5S)-2-(2-methylpyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide?
The InChIKey is FFRYZFMJEIGSKY-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-16-25-12-11-21(26-16)18-9-10-20-17(13-18)7-5-6-8-22(20)27-23(29)28-14-19(15-28)30-24(2,3)4/h9-13,19,22H,5-8,14-15H2,1-4H3,(H,27,29)/t22-/m0/s1.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-N-[(5S)-2-(2-methylpyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide?
3-[(2-methylpropan-2-yl)oxy]-N-[(5S)-2-(2-methylpyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-N-[(5S)-2-(2-methylpyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azetidine-1-carboxamide is sourced from PubChem (CID 135294642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).