10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-14-oxa-8,10-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene

C42H29FN4O — CID 162483106

IUPAC10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-14-oxa-8,10-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2Oc2cc3c(cc21)c1cccnc1n3-c1cccc(C(F)c2ccc3c4ccccc4n4ccnc4c3c2)c1
InChIInChI=1S/C42H29FN4O/c1-42(2)33-13-4-6-15-37(33)48-38-24-36-31(23-34(38)42)30-12-8-18-44-41(30)47(36)27-10-7-9-25(21-27)39(43)26-16-17-28-29-11-3-5-14-35(29)46-20-19-45-40(46)32(28)22-26/h3-24,39H,1-2H3
InChIKeyAZYRJXBOUDJHDZ-UHFFFAOYSA-N
MW624.72 g/mol
LogP10.62
Rot. Bonds3

About 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-14-oxa-8,10-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene

10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-14-oxa-8,10-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene (PubChem CID 162483106) has the molecular formula C42H29FN4O and a molecular weight of 624.72 g/mol. Its IUPAC name is 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-14-oxa-8,10-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-14-oxa-8,10-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
PubChem CID162483106
Molecular FormulaC42H29FN4O
Molecular Weight624.72 g/mol
Exact Mass624.23
IUPAC Name10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-14-oxa-8,10-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2Oc2cc3c(cc21)c1cccnc1n3-c1cccc(C(F)c2ccc3c4ccccc4n4ccnc4c3c2)c1
InChIInChI=1S/C42H29FN4O/c1-42(2)33-13-4-6-15-37(33)48-38-24-36-31(23-34(38)42)30-12-8-18-44-41(30)47(36)27-10-7-9-25(21-27)39(43)26-16-17-28-29-11-3-5-14-35(29)46-20-19-45-40(46)32(28)22-26/h3-24,39H,1-2H3
InChIKeyAZYRJXBOUDJHDZ-UHFFFAOYSA-N
XLogP10.62
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.72
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-14-oxa-8,10-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-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

3-[3-(4-Methylpiperazin-1-yl)cyclobutyl]-1-(4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71763377
1-(8-Fluoro-4-phenoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 71763607
6-[[5-[4-(Trifluoromethoxy)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 86566674
6-[[8-Fluoro-6-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline
CID 122179437
1-[3-Methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]isoquinoline
CID 146025712
6-[6-(3-Ethoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]quinoline
CID 155554084
2-[[2-[(1R)-2,2-dimethylcyclopropyl]-1-[[2-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]methyl]benzimidazol-5-yl]oxymethyl]quinoline
CID 90440786
7-[5-[(2-ethyl-4-methylquinolin-7-yl)oxymethyl]-3-pyridinyl]-5-[(2S)-oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304111
7-[5-[(2-Ethyl-4-pyrrolidin-1-ylquinolin-7-yl)oxymethyl]-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304141
3-quinolin-8-yl-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 46943822
N,N-dimethyl-3-[[5-(3-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]oxy]propan-1-amine
CID 155563378
(5-Methoxy-7-methylpyridino[4,3-c]carbazolyl)(2-piperidylethyl)amine
CID 471285

Frequently Asked Questions

What is the IUPAC name of 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-14-oxa-8,10-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?
The IUPAC name of 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-14-oxa-8,10-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene (CID 162483106) is 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-14-oxa-8,10-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene.
What is the SMILES notation for 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-14-oxa-8,10-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?
The canonical SMILES for 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-14-oxa-8,10-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene is CC1(C)c2ccccc2Oc2cc3c(cc21)c1cccnc1n3-c1cccc(C(F)c2ccc3c4ccccc4n4ccnc4c3c2)c1.
What is the InChIKey of 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-14-oxa-8,10-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?
The InChIKey is AZYRJXBOUDJHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29FN4O/c1-42(2)33-13-4-6-15-37(33)48-38-24-36-31(23-34(38)42)30-12-8-18-44-41(30)47(36)27-10-7-9-25(21-27)39(43)26-16-17-28-29-11-3-5-14-35(29)46-20-19-45-40(46)32(28)22-26/h3-24,39H,1-2H3.
What are the key properties of 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-14-oxa-8,10-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?
10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-14-oxa-8,10-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene has a molecular weight of 624.72 g/mol, XLogP of 10.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-14-oxa-8,10-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene is sourced from PubChem (CID 162483106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).