N-[5-(diethylamino)pentan-2-yl]-11-fluoro-14-oxo-10-(3-pyrazin-2-ylpyrrolidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide

C33H37FN6O3 — CID 11433218

IUPACN-[5-(diethylamino)pentan-2-yl]-11-fluoro-14-oxo-10-(3-pyrazin-2-ylpyrrolidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cn2c3c(c(N4CCC(c5cnccn5)C4)c(F)cc3c1=O)Oc1ccccc1-2
InChIInChI=1S/C33H37FN6O3/c1-4-38(5-2)15-8-9-21(3)37-33(42)24-20-40-27-10-6-7-11-28(27)43-32-29(40)23(31(24)41)17-25(34)30(32)39-16-12-22(19-39)26-18-35-13-14-36-26/h6-7,10-11,13-14,17-18,20-22H,4-5,8-9,12,15-16,19H2,1-3H3,(H,37,42)
InChIKeyCDDVUSDILMVMOY-UHFFFAOYSA-N
MW584.70 g/mol
LogP5.26
Rot. Bonds10

About N-[5-(diethylamino)pentan-2-yl]-11-fluoro-14-oxo-10-(3-pyrazin-2-ylpyrrolidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide

N-[5-(diethylamino)pentan-2-yl]-11-fluoro-14-oxo-10-(3-pyrazin-2-ylpyrrolidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide (PubChem CID 11433218) has the molecular formula C33H37FN6O3 and a molecular weight of 584.70 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-11-fluoro-14-oxo-10-(3-pyrazin-2-ylpyrrolidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-11-fluoro-14-oxo-10-(3-pyrazin-2-ylpyrrolidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide
PubChem CID11433218
Molecular FormulaC33H37FN6O3
Molecular Weight584.70 g/mol
Exact Mass584.29
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-11-fluoro-14-oxo-10-(3-pyrazin-2-ylpyrrolidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cn2c3c(c(N4CCC(c5cnccn5)C4)c(F)cc3c1=O)Oc1ccccc1-2
InChIInChI=1S/C33H37FN6O3/c1-4-38(5-2)15-8-9-21(3)37-33(42)24-20-40-27-10-6-7-11-28(27)43-32-29(40)23(31(24)41)17-25(34)30(32)39-16-12-22(19-39)26-18-35-13-14-36-26/h6-7,10-11,13-14,17-18,20-22H,4-5,8-9,12,15-16,19H2,1-3H3,(H,37,42)
InChIKeyCDDVUSDILMVMOY-UHFFFAOYSA-N
XLogP5.26
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.70
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-(diethylamino)pentan-2-yl]-11-fluoro-14-oxo-10-(3-pyrazin-2-ylpyrrolidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-11-fluoro-14-oxo-10-(3-pyrazin-2-ylpyrrolidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-11-fluoro-14-oxo-10-(3-pyrazin-2-ylpyrrolidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide (CID 11433218) is N-[5-(diethylamino)pentan-2-yl]-11-fluoro-14-oxo-10-(3-pyrazin-2-ylpyrrolidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-11-fluoro-14-oxo-10-(3-pyrazin-2-ylpyrrolidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-11-fluoro-14-oxo-10-(3-pyrazin-2-ylpyrrolidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide is CCN(CC)CCCC(C)NC(=O)c1cn2c3c(c(N4CCC(c5cnccn5)C4)c(F)cc3c1=O)Oc1ccccc1-2.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-11-fluoro-14-oxo-10-(3-pyrazin-2-ylpyrrolidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide?
The InChIKey is CDDVUSDILMVMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37FN6O3/c1-4-38(5-2)15-8-9-21(3)37-33(42)24-20-40-27-10-6-7-11-28(27)43-32-29(40)23(31(24)41)17-25(34)30(32)39-16-12-22(19-39)26-18-35-13-14-36-26/h6-7,10-11,13-14,17-18,20-22H,4-5,8-9,12,15-16,19H2,1-3H3,(H,37,42).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-11-fluoro-14-oxo-10-(3-pyrazin-2-ylpyrrolidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide?
N-[5-(diethylamino)pentan-2-yl]-11-fluoro-14-oxo-10-(3-pyrazin-2-ylpyrrolidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide has a molecular weight of 584.70 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-11-fluoro-14-oxo-10-(3-pyrazin-2-ylpyrrolidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide is sourced from PubChem (CID 11433218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).