2-[8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-morpholin-4-ylethanone

C25H39N7O3 — CID 146070875

IUPAC2-[8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-morpholin-4-ylethanone
SMILESCc1nn(C)cc1CN1CCC2(CC1)CC(c1nnc(C(C)C)o1)N(CC(=O)N1CCOCC1)C2
InChIInChI=1S/C25H39N7O3/c1-18(2)23-26-27-24(35-23)21-13-25(17-32(21)16-22(33)31-9-11-34-12-10-31)5-7-30(8-6-25)15-20-14-29(4)28-19(20)3/h14,18,21H,5-13,15-17H2,1-4H3
InChIKeyZNMJZADCUYKLGR-UHFFFAOYSA-N
MW485.63 g/mol
LogP2.12
Rot. Bonds6

About 2-[8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-morpholin-4-ylethanone

2-[8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-morpholin-4-ylethanone (PubChem CID 146070875) has the molecular formula C25H39N7O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is 2-[8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-morpholin-4-ylethanone
PubChem CID146070875
Molecular FormulaC25H39N7O3
Molecular Weight485.63 g/mol
Exact Mass485.31
IUPAC Name2-[8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-morpholin-4-ylethanone
SMILESCc1nn(C)cc1CN1CCC2(CC1)CC(c1nnc(C(C)C)o1)N(CC(=O)N1CCOCC1)C2
InChIInChI=1S/C25H39N7O3/c1-18(2)23-26-27-24(35-23)21-13-25(17-32(21)16-22(33)31-9-11-34-12-10-31)5-7-30(8-6-25)15-20-14-29(4)28-19(20)3/h14,18,21H,5-13,15-17H2,1-4H3
InChIKeyZNMJZADCUYKLGR-UHFFFAOYSA-N
XLogP2.12
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-morpholin-4-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-morpholin-4-ylethanone (CID 146070875) is 2-[8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-morpholin-4-ylethanone is Cc1nn(C)cc1CN1CCC2(CC1)CC(c1nnc(C(C)C)o1)N(CC(=O)N1CCOCC1)C2.
What is the InChIKey of 2-[8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-morpholin-4-ylethanone?
The InChIKey is ZNMJZADCUYKLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N7O3/c1-18(2)23-26-27-24(35-23)21-13-25(17-32(21)16-22(33)31-9-11-34-12-10-31)5-7-30(8-6-25)15-20-14-29(4)28-19(20)3/h14,18,21H,5-13,15-17H2,1-4H3.
What are the key properties of 2-[8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-morpholin-4-ylethanone?
2-[8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-morpholin-4-ylethanone has a molecular weight of 485.63 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 146070875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).