[6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone

C25H33N7O3 — CID 171533231

IUPAC[6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCc1onc(C2CC2)c1CN1CC2(C1)CN(C(=O)N1CC3(CC(n4cnc(C5(O)CC5)n4)C3)C1)C2
InChIInChI=1S/C25H33N7O3/c1-16-19(20(28-35-16)17-2-3-17)8-29-9-24(10-29)13-31(14-24)22(33)30-11-23(12-30)6-18(7-23)32-15-26-21(27-32)25(34)4-5-25/h15,17-18,34H,2-14H2,1H3
InChIKeyODBTYQLTZLAYSM-UHFFFAOYSA-N
MW479.59 g/mol
LogP2.01
Rot. Bonds5

About [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone

[6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 171533231) has the molecular formula C25H33N7O3 and a molecular weight of 479.59 g/mol. Its IUPAC name is [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name[6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID171533231
Molecular FormulaC25H33N7O3
Molecular Weight479.59 g/mol
Exact Mass479.26
IUPAC Name[6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCc1onc(C2CC2)c1CN1CC2(C1)CN(C(=O)N1CC3(CC(n4cnc(C5(O)CC5)n4)C3)C1)C2
InChIInChI=1S/C25H33N7O3/c1-16-19(20(28-35-16)17-2-3-17)8-29-9-24(10-29)13-31(14-24)22(33)30-11-23(12-30)6-18(7-23)32-15-26-21(27-32)25(34)4-5-25/h15,17-18,34H,2-14H2,1H3
InChIKeyODBTYQLTZLAYSM-UHFFFAOYSA-N
XLogP2.01
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone with MolForge

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Related Compounds

CID 171533092
CID 171533092
CID 169105041
CID 169105041
CID 171533356
CID 171533356

Frequently Asked Questions

What is the IUPAC name of [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 171533231) is [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone is Cc1onc(C2CC2)c1CN1CC2(C1)CN(C(=O)N1CC3(CC(n4cnc(C5(O)CC5)n4)C3)C1)C2.
What is the InChIKey of [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is ODBTYQLTZLAYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O3/c1-16-19(20(28-35-16)17-2-3-17)8-29-9-24(10-29)13-31(14-24)22(33)30-11-23(12-30)6-18(7-23)32-15-26-21(27-32)25(34)4-5-25/h15,17-18,34H,2-14H2,1H3.
What are the key properties of [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone?
[6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 479.59 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-[6-[3-(1-hydroxycyclopropyl)-1,2,4-triazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 171533231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).