11-fluoro-10-(3-imidazol-1-ylpropylamino)-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide

C30H27FN6O3 — CID 58816108

IUPAC11-fluoro-10-(3-imidazol-1-ylpropylamino)-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1cn2c3c(c(NCCCn4ccnc4)c(F)cc3c1=O)Oc1ccccc1-2
InChIInChI=1S/C30H27FN6O3/c1-35(15-10-20-7-4-5-11-33-20)30(39)22-18-37-24-8-2-3-9-25(24)40-29-26(23(31)17-21(27(29)37)28(22)38)34-12-6-14-36-16-13-32-19-36/h2-5,7-9,11,13,16-19,34H,6,10,12,14-15H2,1H3
InChIKeyIFWAAWCRGZTPTN-UHFFFAOYSA-N
MW538.58 g/mol
LogP4.64
Rot. Bonds9

About 11-fluoro-10-(3-imidazol-1-ylpropylamino)-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide

11-fluoro-10-(3-imidazol-1-ylpropylamino)-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-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 58816108) has the molecular formula C30H27FN6O3 and a molecular weight of 538.58 g/mol. Its IUPAC name is 11-fluoro-10-(3-imidazol-1-ylpropylamino)-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-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 Name11-fluoro-10-(3-imidazol-1-ylpropylamino)-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide
PubChem CID58816108
Molecular FormulaC30H27FN6O3
Molecular Weight538.58 g/mol
Exact Mass538.21
IUPAC Name11-fluoro-10-(3-imidazol-1-ylpropylamino)-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1cn2c3c(c(NCCCn4ccnc4)c(F)cc3c1=O)Oc1ccccc1-2
InChIInChI=1S/C30H27FN6O3/c1-35(15-10-20-7-4-5-11-33-20)30(39)22-18-37-24-8-2-3-9-25(24)40-29-26(23(31)17-21(27(29)37)28(22)38)34-12-6-14-36-16-13-32-19-36/h2-5,7-9,11,13,16-19,34H,6,10,12,14-15H2,1H3
InChIKeyIFWAAWCRGZTPTN-UHFFFAOYSA-N
XLogP4.64
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.58
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 11-fluoro-10-(3-imidazol-1-ylpropylamino)-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-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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Related Compounds

15-fluoro-14-(3-imidazol-1-ylpropylamino)-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide
CID 58744745
15-fluoro-N-methyl-18-oxo-N-(2-pyridin-2-ylethyl)-14-(2-pyridin-2-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide
CID 58745260
11-fluoro-10-(3-imidazol-1-ylpropylamino)-5-methoxy-14-oxo-N-(2-pyrrolidin-1-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 58743963
11-fluoro-N-(3-imidazol-1-ylpropyl)-10-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-14-oxo-4-phenyl-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 58745021
18-fluoro-N-(3-imidazol-1-ylpropyl)-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide
CID 58744155
but-1-ene;10-[3-[[2-(4,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]pyrrolidin-1-yl]-11-fluoro-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide
CID 142953695
11-fluoro-15-(4-methylpiperazine-1-carbonyl)-10-(2-pyrrolidin-1-ylethylamino)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one
CID 58744673
15-fluoro-N-(3-morpholin-4-ylpropyl)-14-(3-morpholin-4-ylpropylamino)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
CID 11192836
N-benzyl-15-fluoro-14-[3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propylamino]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
CID 142953670
17-[4-(dimethylamino)butylamino]-18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide
CID 58744434
14-oxo-10-(2-pyridin-2-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17),15-heptaene-15-carboxamide
CID 59751709
N-[3-(4,5-dihydroimidazol-1-yl)propyl]-15-fluoro-14-(3-morpholin-4-ylpropylamino)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide
CID 58816053

Frequently Asked Questions

What is the IUPAC name of 11-fluoro-10-(3-imidazol-1-ylpropylamino)-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-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 11-fluoro-10-(3-imidazol-1-ylpropylamino)-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide (CID 58816108) is 11-fluoro-10-(3-imidazol-1-ylpropylamino)-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-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 11-fluoro-10-(3-imidazol-1-ylpropylamino)-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-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 11-fluoro-10-(3-imidazol-1-ylpropylamino)-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide is CN(CCc1ccccn1)C(=O)c1cn2c3c(c(NCCCn4ccnc4)c(F)cc3c1=O)Oc1ccccc1-2.
What is the InChIKey of 11-fluoro-10-(3-imidazol-1-ylpropylamino)-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-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 IFWAAWCRGZTPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN6O3/c1-35(15-10-20-7-4-5-11-33-20)30(39)22-18-37-24-8-2-3-9-25(24)40-29-26(23(31)17-21(27(29)37)28(22)38)34-12-6-14-36-16-13-32-19-36/h2-5,7-9,11,13,16-19,34H,6,10,12,14-15H2,1H3.
What are the key properties of 11-fluoro-10-(3-imidazol-1-ylpropylamino)-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxamide?
11-fluoro-10-(3-imidazol-1-ylpropylamino)-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-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 538.58 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-10-(3-imidazol-1-ylpropylamino)-N-methyl-14-oxo-N-(2-pyridin-2-ylethyl)-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 58816108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).