1H-indol-3-yl-[8-(1H-pyrazol-5-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

C21H25N5O3 — CID 134072879

About 1H-indol-3-yl-[8-(1H-pyrazol-5-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

1H-indol-3-yl-[8-(1H-pyrazol-5-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (PubChem CID 134072879) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1H-indol-3-yl-[8-(1H-pyrazol-5-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.

Molecular Properties

• Compound Name: 1H-indol-3-yl-[8-(1H-pyrazol-5-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
• PubChem CID: 134072879
• Molecular Formula: C21H25N5O3
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.20
• IUPAC Name: 1H-indol-3-yl-[8-(1H-pyrazol-5-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
• SMILES: O=C(c1c[nH]c2ccccc12)N1CCOC2(COCCN(Cc3ccn[nH]3)C2)C1
• InChI: InChI=1S/C21H25N5O3/c27-20(18-11-22-19-4-2-1-3-17(18)19)26-8-10-29-21(14-26)13-25(7-9-28-15-21)12-16-5-6-23-24-16/h1-6,11,22H,7-10,12-15H2,(H,23,24)
• InChIKey: CZRGWVONWJCDES-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 86.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[8-(1H-pyrazol-5-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?

The IUPAC name of 1H-indol-3-yl-[8-(1H-pyrazol-5-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (CID 134072879) is 1H-indol-3-yl-[8-(1H-pyrazol-5-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.

What is the SMILES notation for 1H-indol-3-yl-[8-(1H-pyrazol-5-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?

The canonical SMILES for 1H-indol-3-yl-[8-(1H-pyrazol-5-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is O=C(c1c[nH]c2ccccc12)N1CCOC2(COCCN(Cc3ccn[nH]3)C2)C1.

What is the InChIKey of 1H-indol-3-yl-[8-(1H-pyrazol-5-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?

The InChIKey is CZRGWVONWJCDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c27-20(18-11-22-19-4-2-1-3-17(18)19)26-8-10-29-21(14-26)13-25(7-9-28-15-21)12-16-5-6-23-24-16/h1-6,11,22H,7-10,12-15H2,(H,23,24).

What are the key properties of 1H-indol-3-yl-[8-(1H-pyrazol-5-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?

1H-indol-3-yl-[8-(1H-pyrazol-5-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone has a molecular weight of 395.46 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-indol-3-yl-[8-(1H-pyrazol-5-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is sourced from PubChem (CID 134072879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).