6-morpholin-4-yl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]pyridine-3-sulfonamide

C23H28N6O3S — CID 45102708

IUPAC6-morpholin-4-yl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCN(Cc1ccn[nH]1)CC2)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H28N6O3S/c30-33(31,22-3-4-23(24-16-22)29-11-13-32-14-12-29)27-20-2-1-18-6-9-28(10-7-19(18)15-20)17-21-5-8-25-26-21/h1-5,8,15-16,27H,6-7,9-14,17H2,(H,25,26)
InChIKeyZRAVHLYAOHIXOD-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.04
Rot. Bonds6

About 6-morpholin-4-yl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]pyridine-3-sulfonamide

6-morpholin-4-yl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]pyridine-3-sulfonamide (PubChem CID 45102708) has the molecular formula C23H28N6O3S and a molecular weight of 468.58 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-morpholin-4-yl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]pyridine-3-sulfonamide
PubChem CID45102708
Molecular FormulaC23H28N6O3S
Molecular Weight468.58 g/mol
Exact Mass468.19
IUPAC Name6-morpholin-4-yl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CCN(Cc1ccn[nH]1)CC2)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H28N6O3S/c30-33(31,22-3-4-23(24-16-22)29-11-13-32-14-12-29)27-20-2-1-18-6-9-28(10-7-19(18)15-20)17-21-5-8-25-26-21/h1-5,8,15-16,27H,6-7,9-14,17H2,(H,25,26)
InChIKeyZRAVHLYAOHIXOD-UHFFFAOYSA-N
XLogP2.04
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-morpholin-4-yl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]pyridine-3-sulfonamide 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 6-morpholin-4-yl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-morpholin-4-yl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]pyridine-3-sulfonamide (CID 45102708) is 6-morpholin-4-yl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-morpholin-4-yl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-morpholin-4-yl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]pyridine-3-sulfonamide is O=S(=O)(Nc1ccc2c(c1)CCN(Cc1ccn[nH]1)CC2)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 6-morpholin-4-yl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]pyridine-3-sulfonamide?
The InChIKey is ZRAVHLYAOHIXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3S/c30-33(31,22-3-4-23(24-16-22)29-11-13-32-14-12-29)27-20-2-1-18-6-9-28(10-7-19(18)15-20)17-21-5-8-25-26-21/h1-5,8,15-16,27H,6-7,9-14,17H2,(H,25,26).
What are the key properties of 6-morpholin-4-yl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]pyridine-3-sulfonamide?
6-morpholin-4-yl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]pyridine-3-sulfonamide has a molecular weight of 468.58 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 45102708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).