(7R)-10-fluorospiro[14-oxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one

C21H21FN6O2 — CID 166635163

IUPAC(7R)-10-fluorospiro[14-oxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one
SMILESO=C1NC2(CC2)COc2ncc(F)cc2[C@H]2CCCCN2c2ccn3ncc1c3n2
InChIInChI=1S/C21H21FN6O2/c22-13-9-14-16-3-1-2-7-27(16)17-4-8-28-18(25-17)15(11-24-28)19(29)26-21(5-6-21)12-30-20(14)23-10-13/h4,8-11,16H,1-3,5-7,12H2,(H,26,29)/t16-/m1/s1
InChIKeyWUOOWFKJQHKXHK-MRXNPFEDSA-N
MW408.44 g/mol
LogP2.65
Rot. Bonds

About (7R)-10-fluorospiro[14-oxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one

(7R)-10-fluorospiro[14-oxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one (PubChem CID 166635163) has the molecular formula C21H21FN6O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is (7R)-10-fluorospiro[14-oxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one.

Molecular Properties

Compound Name(7R)-10-fluorospiro[14-oxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one
PubChem CID166635163
Molecular FormulaC21H21FN6O2
Molecular Weight408.44 g/mol
Exact Mass408.17
IUPAC Name(7R)-10-fluorospiro[14-oxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one
SMILESO=C1NC2(CC2)COc2ncc(F)cc2[C@H]2CCCCN2c2ccn3ncc1c3n2
InChIInChI=1S/C21H21FN6O2/c22-13-9-14-16-3-1-2-7-27(16)17-4-8-28-18(25-17)15(11-24-28)19(29)26-21(5-6-21)12-30-20(14)23-10-13/h4,8-11,16H,1-3,5-7,12H2,(H,26,29)/t16-/m1/s1
InChIKeyWUOOWFKJQHKXHK-MRXNPFEDSA-N
XLogP2.65
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7R)-10-fluorospiro[14-oxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-10-fluorospiro[14-oxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one?
The IUPAC name of (7R)-10-fluorospiro[14-oxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one (CID 166635163) is (7R)-10-fluorospiro[14-oxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one.
What is the SMILES notation for (7R)-10-fluorospiro[14-oxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one?
The canonical SMILES for (7R)-10-fluorospiro[14-oxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one is O=C1NC2(CC2)COc2ncc(F)cc2[C@H]2CCCCN2c2ccn3ncc1c3n2.
What is the InChIKey of (7R)-10-fluorospiro[14-oxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one?
The InChIKey is WUOOWFKJQHKXHK-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21FN6O2/c22-13-9-14-16-3-1-2-7-27(16)17-4-8-28-18(25-17)15(11-24-28)19(29)26-21(5-6-21)12-30-20(14)23-10-13/h4,8-11,16H,1-3,5-7,12H2,(H,26,29)/t16-/m1/s1.
What are the key properties of (7R)-10-fluorospiro[14-oxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one?
(7R)-10-fluorospiro[14-oxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one has a molecular weight of 408.44 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-10-fluorospiro[14-oxa-2,12,17,21,22,25-hexazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one is sourced from PubChem (CID 166635163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).