17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-14-pyridin-2-yl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene

C42H29FN4O — CID 140951407

IUPAC17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-14-pyridin-2-yl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
SMILESCC1(C)c2ccc(C(F)c3ccc4c5ccccc5n5ccnc5c4c3)cc2N(c2ccccn2)c2cc3oc4ccccc4c3cc21
InChIInChI=1S/C42H29FN4O/c1-42(2)32-17-15-26(40(43)25-14-16-27-28-9-3-5-11-34(28)46-20-19-45-41(46)31(27)21-25)22-35(32)47(39-13-7-8-18-44-39)36-24-38-30(23-33(36)42)29-10-4-6-12-37(29)48-38/h3-24,40H,1-2H3
InChIKeyQUNCYDOYZOAQBD-UHFFFAOYSA-N
MW624.72 g/mol
LogP11.10
Rot. Bonds3

About 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-14-pyridin-2-yl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene

17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-14-pyridin-2-yl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene (PubChem CID 140951407) has the molecular formula C42H29FN4O and a molecular weight of 624.72 g/mol. Its IUPAC name is 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-14-pyridin-2-yl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-14-pyridin-2-yl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
PubChem CID140951407
Molecular FormulaC42H29FN4O
Molecular Weight624.72 g/mol
Exact Mass624.23
IUPAC Name17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-14-pyridin-2-yl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
SMILESCC1(C)c2ccc(C(F)c3ccc4c5ccccc5n5ccnc5c4c3)cc2N(c2ccccn2)c2cc3oc4ccccc4c3cc21
InChIInChI=1S/C42H29FN4O/c1-42(2)32-17-15-26(40(43)25-14-16-27-28-9-3-5-11-34(28)46-20-19-45-41(46)31(27)21-25)22-35(32)47(39-13-7-8-18-44-39)36-24-38-30(23-33(36)42)29-10-4-6-12-37(29)48-38/h3-24,40H,1-2H3
InChIKeyQUNCYDOYZOAQBD-UHFFFAOYSA-N
XLogP11.10
TPSA46.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.72
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-14-pyridin-2-yl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 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-Methoxy-7,8-dimethylimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
CID 13055790
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-(8-oxa-10,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-1-benzofuran-3-carboxamide
CID 89435067
7-[[5-[4-amino-5-(5-methylfuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine
CID 156731623
3-[3-(1-Benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 71699623
9,13,17,19,23-Pentakis(trifluoromethyl)-18-oxa-3,12,14,22,24-pentazaheptacyclo[13.9.2.02,10.03,8.011,26.016,20.021,25]hexacosa-1,4,6,8,10,12,14,16,19,21,23,25-dodecaene
CID 72190663
3-Benzyl-14-oxa-6-aza-3-azoniapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2,4,7,9,11,15,17,19-nonaene;2,2,2-trifluoroacetate
CID 176435894
1-(2,4-diisopropyldibenzo[b,d]furan-3-yl)-2-phenyl-1H-imidazole
CID 58400869
3-((5-(4-(Tertbutyl)pyridin-2-yl)-5h-benzofuro[3,2-c]carbazol-3-yl)oxy) aniline
CID 176783564
6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
CID 18993190
6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzoyl]indole-1-carboxamide
CID 18993243
3-[3-fluoro-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-N,N-dimethyl-6-phenylmethoxyindole-1-carboxamide
CID 18993247
2-[5-[(2-Butylimidazo[4,5-b]pyridin-3-yl)methyl]-3-fluoro-1-benzofuran-2-yl]benzonitrile
CID 67880830

Frequently Asked Questions

What is the IUPAC name of 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-14-pyridin-2-yl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?
The IUPAC name of 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-14-pyridin-2-yl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene (CID 140951407) is 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-14-pyridin-2-yl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene.
What is the SMILES notation for 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-14-pyridin-2-yl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?
The canonical SMILES for 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-14-pyridin-2-yl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene is CC1(C)c2ccc(C(F)c3ccc4c5ccccc5n5ccnc5c4c3)cc2N(c2ccccn2)c2cc3oc4ccccc4c3cc21.
What is the InChIKey of 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-14-pyridin-2-yl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?
The InChIKey is QUNCYDOYZOAQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29FN4O/c1-42(2)32-17-15-26(40(43)25-14-16-27-28-9-3-5-11-34(28)46-20-19-45-41(46)31(27)21-25)22-35(32)47(39-13-7-8-18-44-39)36-24-38-30(23-33(36)42)29-10-4-6-12-37(29)48-38/h3-24,40H,1-2H3.
What are the key properties of 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-14-pyridin-2-yl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?
17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-14-pyridin-2-yl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene has a molecular weight of 624.72 g/mol, XLogP of 11.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-14-pyridin-2-yl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene is sourced from PubChem (CID 140951407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).