1H-indazol-3-yl-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone

C23H26N4O2 — CID 155505567

About 1H-indazol-3-yl-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone

1H-indazol-3-yl-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone (PubChem CID 155505567) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1H-indazol-3-yl-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: 1H-indazol-3-yl-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
• PubChem CID: 155505567
• Molecular Formula: C23H26N4O2
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.21
• IUPAC Name: 1H-indazol-3-yl-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone
• SMILES: O=C(c1n[nH]c2ccccc12)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1
• InChI: InChI=1S/C23H26N4O2/c28-23(21-18-10-4-5-11-19(18)24-25-21)27-14-15-29-20(16-26-12-6-7-13-26)22(27)17-8-2-1-3-9-17/h1-5,8-11,20,22H,6-7,12-16H2,(H,24,25)/t20-,22-/m0/s1
• InChIKey: GMUCXMMLPBZPSN-UNMCSNQZSA-N
• XLogP: 3.24
• TPSA: 61.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone?

The IUPAC name of 1H-indazol-3-yl-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone (CID 155505567) is 1H-indazol-3-yl-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone.

What is the SMILES notation for 1H-indazol-3-yl-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone?

The canonical SMILES for 1H-indazol-3-yl-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone is O=C(c1n[nH]c2ccccc12)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1.

What is the InChIKey of 1H-indazol-3-yl-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone?

The InChIKey is GMUCXMMLPBZPSN-UNMCSNQZSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-23(21-18-10-4-5-11-19(18)24-25-21)27-14-15-29-20(16-26-12-6-7-13-26)22(27)17-8-2-1-3-9-17/h1-5,8-11,20,22H,6-7,12-16H2,(H,24,25)/t20-,22-/m0/s1.

What are the key properties of 1H-indazol-3-yl-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone?

1H-indazol-3-yl-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone has a molecular weight of 390.49 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-indazol-3-yl-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 155505567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).