CID 88973222

C15H23BFN5O — CID 88973222

IUPAC—
SMILES[B]N(CC(=O)N1C[C@@H](F)C[C@H]1C)[C@@H]1CC[C@H](Cn2cncn2)C1
InChIInChI=1S/C15H23BFN5O/c1-11-4-13(17)7-21(11)15(23)8-22(16)14-3-2-12(5-14)6-20-10-18-9-19-20/h9-14H,2-8H2,1H3/t11-,12+,13+,14-/m1/s1
InChIKeyXUBZOQISOREFLG-ZOBORPQBSA-N
MW319.19 g/mol
LogP0.79
Rot. Bonds5

About CID 88973222

CID 88973222 (PubChem CID 88973222) has the molecular formula C15H23BFN5O and a molecular weight of 319.19 g/mol.

Molecular Properties

Compound NameCID 88973222
PubChem CID88973222
Molecular FormulaC15H23BFN5O
Molecular Weight319.19 g/mol
Exact Mass319.20
IUPAC Name—
SMILES[B]N(CC(=O)N1C[C@@H](F)C[C@H]1C)[C@@H]1CC[C@H](Cn2cncn2)C1
InChIInChI=1S/C15H23BFN5O/c1-11-4-13(17)7-21(11)15(23)8-22(16)14-3-2-12(5-14)6-20-10-18-9-19-20/h9-14H,2-8H2,1H3/t11-,12+,13+,14-/m1/s1
InChIKeyXUBZOQISOREFLG-ZOBORPQBSA-N
XLogP0.79
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 88973222 with MolForge

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

Launch Full Analysis

Related Compounds

Melogliptin
CID 11623906
(3S*,4R*)-4-isopropyl-N,N-dimethyl-1-[3-(1H-1,2,4-triazol-1-yl)propanoyl]pyrrolidin-3-amine
CID 72852643
(2S,4S)-4-fluoro-1-[2-[[3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 11515266
(2S,4S)-4-fluoro-1-[2-[[(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 11638340
(2S,4S)-4-fluoro-1-[2-[[(1R,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 11645446
4-Fluoro-1-[2-[[3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 11702503
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-[[(1S,3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone
CID 11716315
tert-butyl N-[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-N-[(1R,3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]carbamate
CID 25112584
4-Fluoro-1-(N-{3-[(1H-1,2,4-triazol-1-yl)methyl]cyclopentyl}glycyl)pyrrolidine-2-carbonitrile
CID 56841597
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-[[(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone
CID 58845502
(2R,4R)-4-fluoro-1-[2-[[(1R,3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 59403294
N-[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-methyl-N-[(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]boronamidic acid
CID 59689232

Frequently Asked Questions

What is the IUPAC name of CID 88973222?
The IUPAC name of CID 88973222 (CID 88973222) is not available.
What is the SMILES notation for CID 88973222?
The canonical SMILES for CID 88973222 is [B]N(CC(=O)N1C[C@@H](F)C[C@H]1C)[C@@H]1CC[C@H](Cn2cncn2)C1.
What is the InChIKey of CID 88973222?
The InChIKey is XUBZOQISOREFLG-ZOBORPQBSA-N. The full InChI is InChI=1S/C15H23BFN5O/c1-11-4-13(17)7-21(11)15(23)8-22(16)14-3-2-12(5-14)6-20-10-18-9-19-20/h9-14H,2-8H2,1H3/t11-,12+,13+,14-/m1/s1.
What are the key properties of CID 88973222?
CID 88973222 has a molecular weight of 319.19 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88973222 is sourced from PubChem (CID 88973222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).