cyclopropyl-[8-[(5-methylfuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone

C21H29N5O2 — CID 146069092

IUPACcyclopropyl-[8-[(5-methylfuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1ccc(CN2CCC3(CC2)CN(C(=O)C2CC2)CC3c2nncn2C)o1
InChIInChI=1S/C21H29N5O2/c1-15-3-6-17(28-15)11-25-9-7-21(8-10-25)13-26(20(27)16-4-5-16)12-18(21)19-23-22-14-24(19)2/h3,6,14,16,18H,4-5,7-13H2,1-2H3
InChIKeyFZGYYHHLSRRHOZ-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.33
Rot. Bonds4

About cyclopropyl-[8-[(5-methylfuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone

cyclopropyl-[8-[(5-methylfuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 146069092) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is cyclopropyl-[8-[(5-methylfuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[8-[(5-methylfuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID146069092
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Namecyclopropyl-[8-[(5-methylfuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1ccc(CN2CCC3(CC2)CN(C(=O)C2CC2)CC3c2nncn2C)o1
InChIInChI=1S/C21H29N5O2/c1-15-3-6-17(28-15)11-25-9-7-21(8-10-25)13-26(20(27)16-4-5-16)12-18(21)19-23-22-14-24(19)2/h3,6,14,16,18H,4-5,7-13H2,1-2H3
InChIKeyFZGYYHHLSRRHOZ-UHFFFAOYSA-N
XLogP2.33
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[8-[(5-methylfuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of cyclopropyl-[8-[(5-methylfuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (CID 146069092) is cyclopropyl-[8-[(5-methylfuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for cyclopropyl-[8-[(5-methylfuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for cyclopropyl-[8-[(5-methylfuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is Cc1ccc(CN2CCC3(CC2)CN(C(=O)C2CC2)CC3c2nncn2C)o1.
What is the InChIKey of cyclopropyl-[8-[(5-methylfuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is FZGYYHHLSRRHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-15-3-6-17(28-15)11-25-9-7-21(8-10-25)13-26(20(27)16-4-5-16)12-18(21)19-23-22-14-24(19)2/h3,6,14,16,18H,4-5,7-13H2,1-2H3.
What are the key properties of cyclopropyl-[8-[(5-methylfuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
cyclopropyl-[8-[(5-methylfuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 383.50 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[8-[(5-methylfuran-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 146069092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).