10-fluoro-14-oxa-2,19,23,24,27-pentazapentacyclo[19.5.2.02,6.08,13.024,28]octacosa-1(27),8(13),9,11,21(28),22,25-heptaen-20-one

C22H24FN5O2 — CID 130325549

IUPAC10-fluoro-14-oxa-2,19,23,24,27-pentazapentacyclo[19.5.2.02,6.08,13.024,28]octacosa-1(27),8(13),9,11,21(28),22,25-heptaen-20-one
SMILESO=C1NCCCCOc2ccc(F)cc2CC2CCCN2c2ccn3ncc1c3n2
InChIInChI=1S/C22H24FN5O2/c23-16-5-6-19-15(12-16)13-17-4-3-9-27(17)20-7-10-28-21(26-20)18(14-25-28)22(29)24-8-1-2-11-30-19/h5-7,10,12,14,17H,1-4,8-9,11,13H2,(H,24,29)
InChIKeySIJLPYXZFBAAAD-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.98
Rot. Bonds

About 10-fluoro-14-oxa-2,19,23,24,27-pentazapentacyclo[19.5.2.02,6.08,13.024,28]octacosa-1(27),8(13),9,11,21(28),22,25-heptaen-20-one

10-fluoro-14-oxa-2,19,23,24,27-pentazapentacyclo[19.5.2.02,6.08,13.024,28]octacosa-1(27),8(13),9,11,21(28),22,25-heptaen-20-one (PubChem CID 130325549) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 10-fluoro-14-oxa-2,19,23,24,27-pentazapentacyclo[19.5.2.02,6.08,13.024,28]octacosa-1(27),8(13),9,11,21(28),22,25-heptaen-20-one.

Molecular Properties

Compound Name10-fluoro-14-oxa-2,19,23,24,27-pentazapentacyclo[19.5.2.02,6.08,13.024,28]octacosa-1(27),8(13),9,11,21(28),22,25-heptaen-20-one
PubChem CID130325549
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name10-fluoro-14-oxa-2,19,23,24,27-pentazapentacyclo[19.5.2.02,6.08,13.024,28]octacosa-1(27),8(13),9,11,21(28),22,25-heptaen-20-one
SMILESO=C1NCCCCOc2ccc(F)cc2CC2CCCN2c2ccn3ncc1c3n2
InChIInChI=1S/C22H24FN5O2/c23-16-5-6-19-15(12-16)13-17-4-3-9-27(17)20-7-10-28-21(26-20)18(14-25-28)22(29)24-8-1-2-11-30-19/h5-7,10,12,14,17H,1-4,8-9,11,13H2,(H,24,29)
InChIKeySIJLPYXZFBAAAD-UHFFFAOYSA-N
XLogP2.98
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 10-fluoro-14-oxa-2,19,23,24,27-pentazapentacyclo[19.5.2.02,6.08,13.024,28]octacosa-1(27),8(13),9,11,21(28),22,25-heptaen-20-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-14-oxa-2,19,23,24,27-pentazapentacyclo[19.5.2.02,6.08,13.024,28]octacosa-1(27),8(13),9,11,21(28),22,25-heptaen-20-one?
The IUPAC name of 10-fluoro-14-oxa-2,19,23,24,27-pentazapentacyclo[19.5.2.02,6.08,13.024,28]octacosa-1(27),8(13),9,11,21(28),22,25-heptaen-20-one (CID 130325549) is 10-fluoro-14-oxa-2,19,23,24,27-pentazapentacyclo[19.5.2.02,6.08,13.024,28]octacosa-1(27),8(13),9,11,21(28),22,25-heptaen-20-one.
What is the SMILES notation for 10-fluoro-14-oxa-2,19,23,24,27-pentazapentacyclo[19.5.2.02,6.08,13.024,28]octacosa-1(27),8(13),9,11,21(28),22,25-heptaen-20-one?
The canonical SMILES for 10-fluoro-14-oxa-2,19,23,24,27-pentazapentacyclo[19.5.2.02,6.08,13.024,28]octacosa-1(27),8(13),9,11,21(28),22,25-heptaen-20-one is O=C1NCCCCOc2ccc(F)cc2CC2CCCN2c2ccn3ncc1c3n2.
What is the InChIKey of 10-fluoro-14-oxa-2,19,23,24,27-pentazapentacyclo[19.5.2.02,6.08,13.024,28]octacosa-1(27),8(13),9,11,21(28),22,25-heptaen-20-one?
The InChIKey is SIJLPYXZFBAAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c23-16-5-6-19-15(12-16)13-17-4-3-9-27(17)20-7-10-28-21(26-20)18(14-25-28)22(29)24-8-1-2-11-30-19/h5-7,10,12,14,17H,1-4,8-9,11,13H2,(H,24,29).
What are the key properties of 10-fluoro-14-oxa-2,19,23,24,27-pentazapentacyclo[19.5.2.02,6.08,13.024,28]octacosa-1(27),8(13),9,11,21(28),22,25-heptaen-20-one?
10-fluoro-14-oxa-2,19,23,24,27-pentazapentacyclo[19.5.2.02,6.08,13.024,28]octacosa-1(27),8(13),9,11,21(28),22,25-heptaen-20-one has a molecular weight of 409.47 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-14-oxa-2,19,23,24,27-pentazapentacyclo[19.5.2.02,6.08,13.024,28]octacosa-1(27),8(13),9,11,21(28),22,25-heptaen-20-one is sourced from PubChem (CID 130325549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).