1H-indol-2-yl-[(6R)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

C22H25N5O2 — CID 97398083

About 1H-indol-2-yl-[(6R)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

1H-indol-2-yl-[(6R)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (PubChem CID 97398083) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1H-indol-2-yl-[(6R)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.

Molecular Properties

• Compound Name: 1H-indol-2-yl-[(6R)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
• PubChem CID: 97398083
• Molecular Formula: C22H25N5O2
• Molecular Weight: 391.48 g/mol
• Exact Mass: 391.20
• IUPAC Name: 1H-indol-2-yl-[(6R)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
• SMILES: O=C(c1cc2ccccc2[nH]1)N1CCC[C@]2(COCCN(c3ncccn3)C2)C1
• InChI: InChI=1S/C22H25N5O2/c28-20(19-13-17-5-1-2-6-18(17)25-19)26-10-3-7-22(14-26)15-27(11-12-29-16-22)21-23-8-4-9-24-21/h1-2,4-6,8-9,13,25H,3,7,10-12,14-16H2/t22-/m0/s1
• InChIKey: NMSDDDDIMFNKNT-QFIPXVFZSA-N
• XLogP: 2.72
• TPSA: 74.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.48
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[(6R)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?

The IUPAC name of 1H-indol-2-yl-[(6R)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (CID 97398083) is 1H-indol-2-yl-[(6R)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.

What is the SMILES notation for 1H-indol-2-yl-[(6R)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?

The canonical SMILES for 1H-indol-2-yl-[(6R)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CCC[C@]2(COCCN(c3ncccn3)C2)C1.

What is the InChIKey of 1H-indol-2-yl-[(6R)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?

The InChIKey is NMSDDDDIMFNKNT-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-20(19-13-17-5-1-2-6-18(17)25-19)26-10-3-7-22(14-26)15-27(11-12-29-16-22)21-23-8-4-9-24-21/h1-2,4-6,8-9,13,25H,3,7,10-12,14-16H2/t22-/m0/s1.

What are the key properties of 1H-indol-2-yl-[(6R)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?

1H-indol-2-yl-[(6R)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone has a molecular weight of 391.48 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-indol-2-yl-[(6R)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is sourced from PubChem (CID 97398083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).