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

C42H29FN4O — CID 140951507

IUPAC7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-dimethyl-10-pyridin-2-yl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2Oc2cc3c4ccc(C(F)c5ccc6c7ccccc7n7ccnc7c6c5)cc4n(-c4ccccn4)c3cc21
InChIInChI=1S/C42H29FN4O/c1-42(2)32-10-4-6-12-37(32)48-38-23-30-29-17-15-26(22-35(29)47(36(30)24-33(38)42)39-13-7-8-18-44-39)40(43)25-14-16-27-28-9-3-5-11-34(28)46-20-19-45-41(46)31(27)21-25/h3-24,40H,1-2H3
InChIKeyYOCQQZCRXXLLDY-UHFFFAOYSA-N
MW624.72 g/mol
LogP10.62
Rot. Bonds3

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

7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-dimethyl-10-pyridin-2-yl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene (PubChem CID 140951507) has the molecular formula C42H29FN4O and a molecular weight of 624.72 g/mol. Its IUPAC name is 7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-dimethyl-10-pyridin-2-yl-21-oxa-10-azapentacyclo[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 Name7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-dimethyl-10-pyridin-2-yl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
PubChem CID140951507
Molecular FormulaC42H29FN4O
Molecular Weight624.72 g/mol
Exact Mass624.23
IUPAC Name7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-dimethyl-10-pyridin-2-yl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2Oc2cc3c4ccc(C(F)c5ccc6c7ccccc7n7ccnc7c6c5)cc4n(-c4ccccn4)c3cc21
InChIInChI=1S/C42H29FN4O/c1-42(2)32-10-4-6-12-37(32)48-38-23-30-29-17-15-26(22-35(29)47(36(30)24-33(38)42)39-13-7-8-18-44-39)40(43)25-14-16-27-28-9-3-5-11-34(28)46-20-19-45-41(46)31(27)21-25/h3-24,40H,1-2H3
InChIKeyYOCQQZCRXXLLDY-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 7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-dimethyl-10-pyridin-2-yl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

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US10676479, Example 26
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Frequently Asked Questions

What is the IUPAC name of 7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-dimethyl-10-pyridin-2-yl-21-oxa-10-azapentacyclo[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 7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-dimethyl-10-pyridin-2-yl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene (CID 140951507) is 7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-dimethyl-10-pyridin-2-yl-21-oxa-10-azapentacyclo[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 7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-dimethyl-10-pyridin-2-yl-21-oxa-10-azapentacyclo[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 7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-dimethyl-10-pyridin-2-yl-21-oxa-10-azapentacyclo[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)c2ccccc2Oc2cc3c4ccc(C(F)c5ccc6c7ccccc7n7ccnc7c6c5)cc4n(-c4ccccn4)c3cc21.
What is the InChIKey of 7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-dimethyl-10-pyridin-2-yl-21-oxa-10-azapentacyclo[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 YOCQQZCRXXLLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29FN4O/c1-42(2)32-10-4-6-12-37(32)48-38-23-30-29-17-15-26(22-35(29)47(36(30)24-33(38)42)39-13-7-8-18-44-39)40(43)25-14-16-27-28-9-3-5-11-34(28)46-20-19-45-41(46)31(27)21-25/h3-24,40H,1-2H3.
What are the key properties of 7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-dimethyl-10-pyridin-2-yl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?
7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-dimethyl-10-pyridin-2-yl-21-oxa-10-azapentacyclo[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 7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-dimethyl-10-pyridin-2-yl-21-oxa-10-azapentacyclo[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 140951507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).