15-fluoro-4-propan-2-yl-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one

C17H14FN3O — CID 70273023

IUPAC15-fluoro-4-propan-2-yl-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
SMILESCC(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1
InChIInChI=1S/C17H14FN3O/c1-8(2)16-20-14-10-4-3-9(18)7-12(10)13-11(15(14)21-16)5-6-19-17(13)22/h3-8H,1-2H3,(H,19,22)(H,20,21)
InChIKeyCUDFTIQZQCLCLN-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.82
Rot. Bonds1

About 15-fluoro-4-propan-2-yl-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one

15-fluoro-4-propan-2-yl-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one (PubChem CID 70273023) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 15-fluoro-4-propan-2-yl-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one.

Molecular Properties

Compound Name15-fluoro-4-propan-2-yl-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
PubChem CID70273023
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name15-fluoro-4-propan-2-yl-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
SMILESCC(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1
InChIInChI=1S/C17H14FN3O/c1-8(2)16-20-14-10-4-3-9(18)7-12(10)13-11(15(14)21-16)5-6-19-17(13)22/h3-8H,1-2H3,(H,19,22)(H,20,21)
InChIKeyCUDFTIQZQCLCLN-UHFFFAOYSA-N
XLogP3.82
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 15-fluoro-4-propan-2-yl-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one 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

Luxeptinib
CID 118480924
Pyridone 6
CID 5494425
AG-17724
CID 11675244
6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
CID 135566329
2-{2-fluoro-4-[(2S)-piperidin-2-yl]phenyl}-1H-benzimidazole-7-carboxamide
CID 46173035
4-(2-Chloro-6-fluorophenyl)-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
CID 12997805
2-(4-Piperidin-4-ylphenyl)-1H-benzimidazole-4-carboxamide
CID 16665391
6-Fluoro-2-(2-fluoro-4-pyrrolidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide
CID 16665934
6-Fluoro-2-(4-piperidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide
CID 16666250
2-[2-Fluoro-4-[(2S)-2-pyrrolidinyl]phenyl]-1H-benzimidazole-7-carboxamide
CID 16666333
1-(3-fluoro-4-(7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydro-1H-isoindo-1-4-yl)-phenyl)-3-(3-trifluoromethyl-phenyl)-urea
CID 66981446
4-Amino-3-{6-[(4-methylpiperazinyl)carbonyl]benzimidazol-2-yl}hydroquinolin-2-one
CID 135674144

Frequently Asked Questions

What is the IUPAC name of 15-fluoro-4-propan-2-yl-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one?
The IUPAC name of 15-fluoro-4-propan-2-yl-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one (CID 70273023) is 15-fluoro-4-propan-2-yl-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one.
What is the SMILES notation for 15-fluoro-4-propan-2-yl-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one?
The canonical SMILES for 15-fluoro-4-propan-2-yl-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one is CC(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1.
What is the InChIKey of 15-fluoro-4-propan-2-yl-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one?
The InChIKey is CUDFTIQZQCLCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-8(2)16-20-14-10-4-3-9(18)7-12(10)13-11(15(14)21-16)5-6-19-17(13)22/h3-8H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 15-fluoro-4-propan-2-yl-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one?
15-fluoro-4-propan-2-yl-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one has a molecular weight of 295.32 g/mol, XLogP of 3.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-fluoro-4-propan-2-yl-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one is sourced from PubChem (CID 70273023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).