2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone

C16H21N5O2 — CID 58293328

IUPAC2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone
SMILESC1CC2(CCCN2C(=O)CO)CN(C1)C3=NC=NC4=C3C=CN4
InChIInChI=1S/C16H21N5O2/c22-9-13(23)21-8-2-5-16(21)4-1-7-20(10-16)15-12-3-6-17-14(12)18-11-19-15/h3,6,11,22H,1-2,4-5,7-10H2,(H,17,18,19)
InChIKeyNIFSMXGORASSPG-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.80
Rot. Bonds2

About 2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone

2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone (PubChem CID 58293328) has the molecular formula C16H21N5O2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone
PubChem CID58293328
Molecular FormulaC16H21N5O2
Molecular Weight315.37 g/mol
Exact Mass315.17
IUPAC Name2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone
SMILESC1CC2(CCCN2C(=O)CO)CN(C1)C3=NC=NC4=C3C=CN4
InChIInChI=1S/C16H21N5O2/c22-9-13(23)21-8-2-5-16(21)4-1-7-20(10-16)15-12-3-6-17-14(12)18-11-19-15/h3,6,11,22H,1-2,4-5,7-10H2,(H,17,18,19)
InChIKeyNIFSMXGORASSPG-UHFFFAOYSA-N
XLogP0.80
TPSA85.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity462

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone 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 2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone (CID 58293328) is 2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone is C1CC2(CCCN2C(=O)CO)CN(C1)C3=NC=NC4=C3C=CN4.
What is the InChIKey of 2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone?
The InChIKey is NIFSMXGORASSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c22-9-13(23)21-8-2-5-16(21)4-1-7-20(10-16)15-12-3-6-17-14(12)18-11-19-15/h3,6,11,22H,1-2,4-5,7-10H2,(H,17,18,19).
What are the key properties of 2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone?
2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone has a molecular weight of 315.37 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decan-1-yl]ethanone is sourced from PubChem (CID 58293328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).