11-fluoro-N-methyl-10-(3-morpholin-4-ylpropylamino)-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide

C37H36FN5O4 — CID 58744285

IUPAC11-fluoro-N-methyl-10-(3-morpholin-4-ylpropylamino)-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1cn2c3c(c(NCCCN4CCOCC4)c(F)cc3c1=O)Oc1ccc(-c3ccccc3)cc1-2
InChIInChI=1S/C37H36FN5O4/c1-41(17-13-27-10-5-6-14-39-27)37(45)29-24-43-31-22-26(25-8-3-2-4-9-25)11-12-32(31)47-36-33(30(38)23-28(34(36)43)35(29)44)40-15-7-16-42-18-20-46-21-19-42/h2-6,8-12,14,22-24,40H,7,13,15-21H2,1H3
InChIKeySGBCQPSSINJTQQ-UHFFFAOYSA-N
MW633.72 g/mol
LogP5.75
Rot. Bonds10

About 11-fluoro-N-methyl-10-(3-morpholin-4-ylpropylamino)-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide

11-fluoro-N-methyl-10-(3-morpholin-4-ylpropylamino)-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide (PubChem CID 58744285) has the molecular formula C37H36FN5O4 and a molecular weight of 633.72 g/mol. Its IUPAC name is 11-fluoro-N-methyl-10-(3-morpholin-4-ylpropylamino)-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide.

Molecular Properties

Compound Name11-fluoro-N-methyl-10-(3-morpholin-4-ylpropylamino)-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide
PubChem CID58744285
Molecular FormulaC37H36FN5O4
Molecular Weight633.72 g/mol
Exact Mass633.28
IUPAC Name11-fluoro-N-methyl-10-(3-morpholin-4-ylpropylamino)-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1cn2c3c(c(NCCCN4CCOCC4)c(F)cc3c1=O)Oc1ccc(-c3ccccc3)cc1-2
InChIInChI=1S/C37H36FN5O4/c1-41(17-13-27-10-5-6-14-39-27)37(45)29-24-43-31-22-26(25-8-3-2-4-9-25)11-12-32(31)47-36-33(30(38)23-28(34(36)43)35(29)44)40-15-7-16-42-18-20-46-21-19-42/h2-6,8-12,14,22-24,40H,7,13,15-21H2,1H3
InChIKeySGBCQPSSINJTQQ-UHFFFAOYSA-N
XLogP5.75
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.72
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 11-fluoro-N-methyl-10-(3-morpholin-4-ylpropylamino)-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-fluoro-N-methyl-10-(3-morpholin-4-ylpropylamino)-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide?
The IUPAC name of 11-fluoro-N-methyl-10-(3-morpholin-4-ylpropylamino)-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide (CID 58744285) is 11-fluoro-N-methyl-10-(3-morpholin-4-ylpropylamino)-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide.
What is the SMILES notation for 11-fluoro-N-methyl-10-(3-morpholin-4-ylpropylamino)-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide?
The canonical SMILES for 11-fluoro-N-methyl-10-(3-morpholin-4-ylpropylamino)-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide is CN(CCc1ccccn1)C(=O)c1cn2c3c(c(NCCCN4CCOCC4)c(F)cc3c1=O)Oc1ccc(-c3ccccc3)cc1-2.
What is the InChIKey of 11-fluoro-N-methyl-10-(3-morpholin-4-ylpropylamino)-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide?
The InChIKey is SGBCQPSSINJTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36FN5O4/c1-41(17-13-27-10-5-6-14-39-27)37(45)29-24-43-31-22-26(25-8-3-2-4-9-25)11-12-32(31)47-36-33(30(38)23-28(34(36)43)35(29)44)40-15-7-16-42-18-20-46-21-19-42/h2-6,8-12,14,22-24,40H,7,13,15-21H2,1H3.
What are the key properties of 11-fluoro-N-methyl-10-(3-morpholin-4-ylpropylamino)-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide?
11-fluoro-N-methyl-10-(3-morpholin-4-ylpropylamino)-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide has a molecular weight of 633.72 g/mol, XLogP of 5.75, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-N-methyl-10-(3-morpholin-4-ylpropylamino)-14-oxo-4-phenyl-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide is sourced from PubChem (CID 58744285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).