14-ethenyl-11-(4-fluorophenyl)-5-methoxy-15-[(Z)-prop-1-enyl]-4-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),14-pentaene

C37H35FN4O2 — CID 137467135

IUPAC14-ethenyl-11-(4-fluorophenyl)-5-methoxy-15-[(Z)-prop-1-enyl]-4-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),14-pentaene
SMILESC=Cc1[nH]c2c(c1/C=C\C)CC1c3cc(OCc4ccc(-n5cccn5)cc4)c(OC)cc3CCN1C2c1ccc(F)cc1
InChIInChI=1S/C37H35FN4O2/c1-4-7-29-31-21-33-30-22-35(44-23-24-8-14-28(15-9-24)42-18-6-17-39-42)34(43-3)20-26(30)16-19-41(33)37(36(31)40-32(29)5-2)25-10-12-27(38)13-11-25/h4-15,17-18,20,22,33,37,40H,2,16,19,21,23H2,1,3H3/b7-4-
InChIKeyKHVVVHPDMISMQN-DAXSKMNVSA-N
MW586.71 g/mol
LogP7.85
Rot. Bonds8

About 14-ethenyl-11-(4-fluorophenyl)-5-methoxy-15-[(Z)-prop-1-enyl]-4-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),14-pentaene

14-ethenyl-11-(4-fluorophenyl)-5-methoxy-15-[(Z)-prop-1-enyl]-4-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),14-pentaene (PubChem CID 137467135) has the molecular formula C37H35FN4O2 and a molecular weight of 586.71 g/mol. Its IUPAC name is 14-ethenyl-11-(4-fluorophenyl)-5-methoxy-15-[(Z)-prop-1-enyl]-4-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),14-pentaene.

Molecular Properties

Compound Name14-ethenyl-11-(4-fluorophenyl)-5-methoxy-15-[(Z)-prop-1-enyl]-4-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),14-pentaene
PubChem CID137467135
Molecular FormulaC37H35FN4O2
Molecular Weight586.71 g/mol
Exact Mass586.27
IUPAC Name14-ethenyl-11-(4-fluorophenyl)-5-methoxy-15-[(Z)-prop-1-enyl]-4-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),14-pentaene
SMILESC=Cc1[nH]c2c(c1/C=C\C)CC1c3cc(OCc4ccc(-n5cccn5)cc4)c(OC)cc3CCN1C2c1ccc(F)cc1
InChIInChI=1S/C37H35FN4O2/c1-4-7-29-31-21-33-30-22-35(44-23-24-8-14-28(15-9-24)42-18-6-17-39-42)34(43-3)20-26(30)16-19-41(33)37(36(31)40-32(29)5-2)25-10-12-27(38)13-11-25/h4-15,17-18,20,22,33,37,40H,2,16,19,21,23H2,1,3H3/b7-4-
InChIKeyKHVVVHPDMISMQN-DAXSKMNVSA-N
XLogP7.85
TPSA55.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.71
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 14-ethenyl-11-(4-fluorophenyl)-5-methoxy-15-[(Z)-prop-1-enyl]-4-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),14-pentaene with MolForge

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Related Compounds

12-(4-fluorophenyl)-6,19-dimethoxy-18-[(4-methylsulfonylphenyl)methoxy]-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4(9),5,7,16,18,20-heptaene
CID 131978628
6-bromo-12-(4-fluorophenyl)-19-methoxy-18-phenylmethoxy-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4(9),5,7,16,18,20-heptaene
CID 131978798
12-(4-fluorophenyl)-6,19-dimethoxy-18-[(3-methoxyphenyl)methoxy]-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4(9),5,7,16,18,20-heptaene
CID 131978790
12-(4-fluorophenyl)-6,18-dimethoxy-19-[(3-methoxyphenyl)methoxy]-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4(9),5,7,16,18,20-heptaene
CID 131978481
(1S)-12-(4-fluorophenyl)-18,19-dimethoxy-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4,6,8,16,18,20-heptaene
CID 147615918
CID 159579297
CID 159579297
CID 160965577
CID 160965577
CID 159404668
CID 159404668
CID 159334085
CID 159334085
6,18-dimethoxy-19-phenylmethoxy-12-(1H-pyrrol-2-yl)-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4(9),5,7,16,18,20-heptaene
CID 131978629
7-methoxy-1-[(E)-2-[2-methyl-5-(4-pyrazol-1-ylphenyl)phenyl]ethenyl]-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 167345956
(12S)-12-(4-fluorophenyl)-19-methoxy-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4,6,8,16(21),17,19-heptaene
CID 141353710

Frequently Asked Questions

What is the IUPAC name of 14-ethenyl-11-(4-fluorophenyl)-5-methoxy-15-[(Z)-prop-1-enyl]-4-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),14-pentaene?
The IUPAC name of 14-ethenyl-11-(4-fluorophenyl)-5-methoxy-15-[(Z)-prop-1-enyl]-4-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),14-pentaene (CID 137467135) is 14-ethenyl-11-(4-fluorophenyl)-5-methoxy-15-[(Z)-prop-1-enyl]-4-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),14-pentaene.
What is the SMILES notation for 14-ethenyl-11-(4-fluorophenyl)-5-methoxy-15-[(Z)-prop-1-enyl]-4-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),14-pentaene?
The canonical SMILES for 14-ethenyl-11-(4-fluorophenyl)-5-methoxy-15-[(Z)-prop-1-enyl]-4-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),14-pentaene is C=Cc1[nH]c2c(c1/C=C\C)CC1c3cc(OCc4ccc(-n5cccn5)cc4)c(OC)cc3CCN1C2c1ccc(F)cc1.
What is the InChIKey of 14-ethenyl-11-(4-fluorophenyl)-5-methoxy-15-[(Z)-prop-1-enyl]-4-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),14-pentaene?
The InChIKey is KHVVVHPDMISMQN-DAXSKMNVSA-N. The full InChI is InChI=1S/C37H35FN4O2/c1-4-7-29-31-21-33-30-22-35(44-23-24-8-14-28(15-9-24)42-18-6-17-39-42)34(43-3)20-26(30)16-19-41(33)37(36(31)40-32(29)5-2)25-10-12-27(38)13-11-25/h4-15,17-18,20,22,33,37,40H,2,16,19,21,23H2,1,3H3/b7-4-.
What are the key properties of 14-ethenyl-11-(4-fluorophenyl)-5-methoxy-15-[(Z)-prop-1-enyl]-4-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),14-pentaene?
14-ethenyl-11-(4-fluorophenyl)-5-methoxy-15-[(Z)-prop-1-enyl]-4-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),14-pentaene has a molecular weight of 586.71 g/mol, XLogP of 7.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-ethenyl-11-(4-fluorophenyl)-5-methoxy-15-[(Z)-prop-1-enyl]-4-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),14-pentaene is sourced from PubChem (CID 137467135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).