(9Z)-15-fluoro-16-morpholin-4-yl-12-oxa-3,6,20,25-tetrazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,9,13,15,17,21,23-nonaen-19-one

C24H24FN5O3 — CID 158716372

IUPAC(9Z)-15-fluoro-16-morpholin-4-yl-12-oxa-3,6,20,25-tetrazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,9,13,15,17,21,23-nonaen-19-one
SMILESO=C1Nc2cccc(n2)-c2nccn2CC/C=C\COc2cc(F)c(N3CCOCC3)cc21
InChIInChI=1S/C24H24FN5O3/c25-18-16-21-17(15-20(18)29-10-13-32-14-11-29)24(31)28-22-6-4-5-19(27-22)23-26-7-9-30(23)8-2-1-3-12-33-21/h1,3-7,9,15-16H,2,8,10-14H2,(H,27,28,31)/b3-1-
InChIKeySZFLDDBOZMSEIL-IWQZZHSRSA-N
MW449.49 g/mol
LogP3.51
Rot. Bonds1

About (9Z)-15-fluoro-16-morpholin-4-yl-12-oxa-3,6,20,25-tetrazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,9,13,15,17,21,23-nonaen-19-one

(9Z)-15-fluoro-16-morpholin-4-yl-12-oxa-3,6,20,25-tetrazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,9,13,15,17,21,23-nonaen-19-one (PubChem CID 158716372) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is (9Z)-15-fluoro-16-morpholin-4-yl-12-oxa-3,6,20,25-tetrazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,9,13,15,17,21,23-nonaen-19-one.

Molecular Properties

Compound Name(9Z)-15-fluoro-16-morpholin-4-yl-12-oxa-3,6,20,25-tetrazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,9,13,15,17,21,23-nonaen-19-one
PubChem CID158716372
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name(9Z)-15-fluoro-16-morpholin-4-yl-12-oxa-3,6,20,25-tetrazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,9,13,15,17,21,23-nonaen-19-one
SMILESO=C1Nc2cccc(n2)-c2nccn2CC/C=C\COc2cc(F)c(N3CCOCC3)cc21
InChIInChI=1S/C24H24FN5O3/c25-18-16-21-17(15-20(18)29-10-13-32-14-11-29)24(31)28-22-6-4-5-19(27-22)23-26-7-9-30(23)8-2-1-3-12-33-21/h1,3-7,9,15-16H,2,8,10-14H2,(H,27,28,31)/b3-1-
InChIKeySZFLDDBOZMSEIL-IWQZZHSRSA-N
XLogP3.51
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (9Z)-15-fluoro-16-morpholin-4-yl-12-oxa-3,6,20,25-tetrazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,9,13,15,17,21,23-nonaen-19-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

Jts-653
CID 23628017
(7S)-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one
CID 140430627
8-Oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one
CID 139593670
2-ethoxy-N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)benzamide
CID 7080312
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 16757011
5-Phenyl-2-trifluoromethyl-furan-3-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 16757105
3-[2-(Imidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-{4-[(1-methyl-4-piperidinyl)oxy]-3-(trifluoromethyl)phenyl}benzamide
CID 24826656
N-[5-(1,5-dimethylimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 25181471
(Z)-1-(2-((1-methyl-4-morpholino-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-yl)-3-(pyridin-3-yl)urea
CID 46884064
[2-(5-Fluoro-2-methylphenoxy)-1-phenylpyrrolo[2,3-b]pyridin-3-yl]-piperazin-1-ylmethanone
CID 56661822
5-Ethyl-2-phenyl-oxazole-4-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 57401961
N-[2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 67374618

Frequently Asked Questions

What is the IUPAC name of (9Z)-15-fluoro-16-morpholin-4-yl-12-oxa-3,6,20,25-tetrazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,9,13,15,17,21,23-nonaen-19-one?
The IUPAC name of (9Z)-15-fluoro-16-morpholin-4-yl-12-oxa-3,6,20,25-tetrazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,9,13,15,17,21,23-nonaen-19-one (CID 158716372) is (9Z)-15-fluoro-16-morpholin-4-yl-12-oxa-3,6,20,25-tetrazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,9,13,15,17,21,23-nonaen-19-one.
What is the SMILES notation for (9Z)-15-fluoro-16-morpholin-4-yl-12-oxa-3,6,20,25-tetrazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,9,13,15,17,21,23-nonaen-19-one?
The canonical SMILES for (9Z)-15-fluoro-16-morpholin-4-yl-12-oxa-3,6,20,25-tetrazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,9,13,15,17,21,23-nonaen-19-one is O=C1Nc2cccc(n2)-c2nccn2CC/C=C\COc2cc(F)c(N3CCOCC3)cc21.
What is the InChIKey of (9Z)-15-fluoro-16-morpholin-4-yl-12-oxa-3,6,20,25-tetrazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,9,13,15,17,21,23-nonaen-19-one?
The InChIKey is SZFLDDBOZMSEIL-IWQZZHSRSA-N. The full InChI is InChI=1S/C24H24FN5O3/c25-18-16-21-17(15-20(18)29-10-13-32-14-11-29)24(31)28-22-6-4-5-19(27-22)23-26-7-9-30(23)8-2-1-3-12-33-21/h1,3-7,9,15-16H,2,8,10-14H2,(H,27,28,31)/b3-1-.
What are the key properties of (9Z)-15-fluoro-16-morpholin-4-yl-12-oxa-3,6,20,25-tetrazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,9,13,15,17,21,23-nonaen-19-one?
(9Z)-15-fluoro-16-morpholin-4-yl-12-oxa-3,6,20,25-tetrazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,9,13,15,17,21,23-nonaen-19-one has a molecular weight of 449.49 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-15-fluoro-16-morpholin-4-yl-12-oxa-3,6,20,25-tetrazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,9,13,15,17,21,23-nonaen-19-one is sourced from PubChem (CID 158716372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).