15-chloro-3-[2-(5-fluoro-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-9-oxa-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaen-10-one

C23H20ClFN6O2 — CID 137357511

IUPAC15-chloro-3-[2-(5-fluoro-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-9-oxa-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaen-10-one
SMILESO=C1OCC2c3nnc(C4CC5(C4)CN(c4ccc(F)cn4)C5)n3-c3ccc(Cl)cc3CN12
InChIInChI=1S/C23H20ClFN6O2/c24-15-1-3-17-13(5-15)9-30-18(10-33-22(30)32)21-28-27-20(31(17)21)14-6-23(7-14)11-29(12-23)19-4-2-16(25)8-26-19/h1-5,8,14,18H,6-7,9-12H2
InChIKeyBPCQKQBBFZADDB-UHFFFAOYSA-N
MW466.90 g/mol
LogP3.85
Rot. Bonds2

About 15-chloro-3-[2-(5-fluoro-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-9-oxa-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaen-10-one

15-chloro-3-[2-(5-fluoro-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-9-oxa-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaen-10-one (PubChem CID 137357511) has the molecular formula C23H20ClFN6O2 and a molecular weight of 466.90 g/mol. Its IUPAC name is 15-chloro-3-[2-(5-fluoro-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-9-oxa-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaen-10-one.

Molecular Properties

Compound Name15-chloro-3-[2-(5-fluoro-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-9-oxa-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaen-10-one
PubChem CID137357511
Molecular FormulaC23H20ClFN6O2
Molecular Weight466.90 g/mol
Exact Mass466.13
IUPAC Name15-chloro-3-[2-(5-fluoro-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-9-oxa-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaen-10-one
SMILESO=C1OCC2c3nnc(C4CC5(C4)CN(c4ccc(F)cn4)C5)n3-c3ccc(Cl)cc3CN12
InChIInChI=1S/C23H20ClFN6O2/c24-15-1-3-17-13(5-15)9-30-18(10-33-22(30)32)21-28-27-20(31(17)21)14-6-23(7-14)11-29(12-23)19-4-2-16(25)8-26-19/h1-5,8,14,18H,6-7,9-12H2
InChIKeyBPCQKQBBFZADDB-UHFFFAOYSA-N
XLogP3.85
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 15-chloro-3-[2-(5-fluoro-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-9-oxa-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-chloro-3-[2-(5-fluoro-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-9-oxa-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaen-10-one?
The IUPAC name of 15-chloro-3-[2-(5-fluoro-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-9-oxa-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaen-10-one (CID 137357511) is 15-chloro-3-[2-(5-fluoro-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-9-oxa-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaen-10-one.
What is the SMILES notation for 15-chloro-3-[2-(5-fluoro-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-9-oxa-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaen-10-one?
The canonical SMILES for 15-chloro-3-[2-(5-fluoro-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-9-oxa-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaen-10-one is O=C1OCC2c3nnc(C4CC5(C4)CN(c4ccc(F)cn4)C5)n3-c3ccc(Cl)cc3CN12.
What is the InChIKey of 15-chloro-3-[2-(5-fluoro-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-9-oxa-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaen-10-one?
The InChIKey is BPCQKQBBFZADDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN6O2/c24-15-1-3-17-13(5-15)9-30-18(10-33-22(30)32)21-28-27-20(31(17)21)14-6-23(7-14)11-29(12-23)19-4-2-16(25)8-26-19/h1-5,8,14,18H,6-7,9-12H2.
What are the key properties of 15-chloro-3-[2-(5-fluoro-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-9-oxa-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaen-10-one?
15-chloro-3-[2-(5-fluoro-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-9-oxa-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaen-10-one has a molecular weight of 466.90 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-3-[2-(5-fluoro-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-9-oxa-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaen-10-one is sourced from PubChem (CID 137357511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).