4-azaspiro[2.4]heptan-4-yl-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone

C16H23N3O2 — CID 146101443

IUPAC4-azaspiro[2.4]heptan-4-yl-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
SMILESC[C@@H]1Cc2c(C(=O)N3CCCC34CC4)nn(C)c2[C@H](C)O1
InChIInChI=1S/C16H23N3O2/c1-10-9-12-13(17-18(3)14(12)11(2)21-10)15(20)19-8-4-5-16(19)6-7-16/h10-11H,4-9H2,1-3H3/t10-,11+/m1/s1
InChIKeyOEYVUDYFZLPPSC-MNOVXSKESA-N
MW289.38 g/mol
LogP2.21
Rot. Bonds1

About 4-azaspiro[2.4]heptan-4-yl-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone

4-azaspiro[2.4]heptan-4-yl-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone (PubChem CID 146101443) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-azaspiro[2.4]heptan-4-yl-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name4-azaspiro[2.4]heptan-4-yl-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
PubChem CID146101443
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-azaspiro[2.4]heptan-4-yl-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
SMILESC[C@@H]1Cc2c(C(=O)N3CCCC34CC4)nn(C)c2[C@H](C)O1
InChIInChI=1S/C16H23N3O2/c1-10-9-12-13(17-18(3)14(12)11(2)21-10)15(20)19-8-4-5-16(19)6-7-16/h10-11H,4-9H2,1-3H3/t10-,11+/m1/s1
InChIKeyOEYVUDYFZLPPSC-MNOVXSKESA-N
XLogP2.21
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-azaspiro[2.4]heptan-4-yl-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-azaspiro[2.4]heptan-4-yl-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The IUPAC name of 4-azaspiro[2.4]heptan-4-yl-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone (CID 146101443) is 4-azaspiro[2.4]heptan-4-yl-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone.
What is the SMILES notation for 4-azaspiro[2.4]heptan-4-yl-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The canonical SMILES for 4-azaspiro[2.4]heptan-4-yl-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone is C[C@@H]1Cc2c(C(=O)N3CCCC34CC4)nn(C)c2[C@H](C)O1.
What is the InChIKey of 4-azaspiro[2.4]heptan-4-yl-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The InChIKey is OEYVUDYFZLPPSC-MNOVXSKESA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-9-12-13(17-18(3)14(12)11(2)21-10)15(20)19-8-4-5-16(19)6-7-16/h10-11H,4-9H2,1-3H3/t10-,11+/m1/s1.
What are the key properties of 4-azaspiro[2.4]heptan-4-yl-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
4-azaspiro[2.4]heptan-4-yl-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone has a molecular weight of 289.38 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azaspiro[2.4]heptan-4-yl-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone is sourced from PubChem (CID 146101443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).