1-(6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaen-14-yl)ethanone

C20H22FN5O2 — CID 166630307

IUPAC1-(6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaen-14-yl)ethanone
SMILESCC(=O)N1CCCOc2ccc(F)cc2CN(C)c2ccn3ncc(c3n2)C1
InChIInChI=1S/C20H22FN5O2/c1-14(27)25-7-3-9-28-18-5-4-17(21)10-15(18)12-24(2)19-6-8-26-20(23-19)16(13-25)11-22-26/h4-6,8,10-11H,3,7,9,12-13H2,1-2H3
InChIKeyGIFYTKOWRDVZNW-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.64
Rot. Bonds

About 1-(6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaen-14-yl)ethanone

1-(6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaen-14-yl)ethanone (PubChem CID 166630307) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-(6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaen-14-yl)ethanone.

Molecular Properties

Compound Name1-(6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaen-14-yl)ethanone
PubChem CID166630307
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name1-(6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaen-14-yl)ethanone
SMILESCC(=O)N1CCCOc2ccc(F)cc2CN(C)c2ccn3ncc(c3n2)C1
InChIInChI=1S/C20H22FN5O2/c1-14(27)25-7-3-9-28-18-5-4-17(21)10-15(18)12-24(2)19-6-8-26-20(23-19)16(13-25)11-22-26/h4-6,8,10-11H,3,7,9,12-13H2,1-2H3
InChIKeyGIFYTKOWRDVZNW-UHFFFAOYSA-N
XLogP2.64
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaen-14-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

Related Compounds

5,7-Difluoro-2-propan-2-yl-9-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.14,8.018,22]tricosa-1(21),4(23),5,7,15(22),16,19-heptaen-14-one
CID 155520832
5-chloro-6-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one
CID 24901319
US10246466, Example 75
CID 124166799
US11098060, Example 10
CID 137548231
1-(2-Methoxybenzyl)-1H-pyrazol-5-amine
CID 3161263
N-{1-[1-(2-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790124
N-[2-[1-(2-ethoxybenzyl)-4-piperidyl]pyrazol-3-yl]-3-phenyl-propionamide
CID 24791181
N-{1-[1-(2-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24791329
3-phenoxy-N-{1-[1-(2-phenylethyl)-4-piperidinyl]-1H-pyrazol-5-yl}propanamide
CID 24817024
14-Ethylsulfonyl-6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene
CID 166626665
1-(6-Fluoro-2-methyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-13-yl)ethanone
CID 166627641
1-[(11S)-6-fluoro-2,11-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-13-yl]ethanone
CID 166633052

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaen-14-yl)ethanone?
The IUPAC name of 1-(6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaen-14-yl)ethanone (CID 166630307) is 1-(6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaen-14-yl)ethanone.
What is the SMILES notation for 1-(6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaen-14-yl)ethanone?
The canonical SMILES for 1-(6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaen-14-yl)ethanone is CC(=O)N1CCCOc2ccc(F)cc2CN(C)c2ccn3ncc(c3n2)C1.
What is the InChIKey of 1-(6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaen-14-yl)ethanone?
The InChIKey is GIFYTKOWRDVZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-14(27)25-7-3-9-28-18-5-4-17(21)10-15(18)12-24(2)19-6-8-26-20(23-19)16(13-25)11-22-26/h4-6,8,10-11H,3,7,9,12-13H2,1-2H3.
What are the key properties of 1-(6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaen-14-yl)ethanone?
1-(6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaen-14-yl)ethanone has a molecular weight of 383.43 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-methyl-10-oxa-2,14,18,19,22-pentazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaen-14-yl)ethanone is sourced from PubChem (CID 166630307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).