10-(5-chloro-6-fluoro-1H-benzo[f]indazol-4-yl)-5-methoxyspiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaene-8,1'-cyclopropane]-3-one

C24H15ClFN5O2 — CID 172588380

IUPAC10-(5-chloro-6-fluoro-1H-benzo[f]indazol-4-yl)-5-methoxyspiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaene-8,1'-cyclopropane]-3-one
SMILESCOc1nc2c(c(=O)[nH]1)-c1ccnc(-c3c4cn[nH]c4cc4ccc(F)c(Cl)c34)c1C21CC1
InChIInChI=1S/C24H15ClFN5O2/c1-33-23-29-21-17(22(32)30-23)11-4-7-27-20(18(11)24(21)5-6-24)16-12-9-28-31-14(12)8-10-2-3-13(26)19(25)15(10)16/h2-4,7-9H,5-6H2,1H3,(H,28,31)(H,29,30,32)
InChIKeyXEYCIOMYDKLZGW-UHFFFAOYSA-N
MW459.87 g/mol
LogP4.72
Rot. Bonds2

About 10-(5-chloro-6-fluoro-1H-benzo[f]indazol-4-yl)-5-methoxyspiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaene-8,1'-cyclopropane]-3-one

10-(5-chloro-6-fluoro-1H-benzo[f]indazol-4-yl)-5-methoxyspiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaene-8,1'-cyclopropane]-3-one (PubChem CID 172588380) has the molecular formula C24H15ClFN5O2 and a molecular weight of 459.87 g/mol. Its IUPAC name is 10-(5-chloro-6-fluoro-1H-benzo[f]indazol-4-yl)-5-methoxyspiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaene-8,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name10-(5-chloro-6-fluoro-1H-benzo[f]indazol-4-yl)-5-methoxyspiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaene-8,1'-cyclopropane]-3-one
PubChem CID172588380
Molecular FormulaC24H15ClFN5O2
Molecular Weight459.87 g/mol
Exact Mass459.09
IUPAC Name10-(5-chloro-6-fluoro-1H-benzo[f]indazol-4-yl)-5-methoxyspiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaene-8,1'-cyclopropane]-3-one
SMILESCOc1nc2c(c(=O)[nH]1)-c1ccnc(-c3c4cn[nH]c4cc4ccc(F)c(Cl)c34)c1C21CC1
InChIInChI=1S/C24H15ClFN5O2/c1-33-23-29-21-17(22(32)30-23)11-4-7-27-20(18(11)24(21)5-6-24)16-12-9-28-31-14(12)8-10-2-3-13(26)19(25)15(10)16/h2-4,7-9H,5-6H2,1H3,(H,28,31)(H,29,30,32)
InChIKeyXEYCIOMYDKLZGW-UHFFFAOYSA-N
XLogP4.72
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.87
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 10-(5-chloro-6-fluoro-1H-benzo[f]indazol-4-yl)-5-methoxyspiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaene-8,1'-cyclopropane]-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(5-chloro-6-fluoro-1H-benzo[f]indazol-4-yl)-5-methoxyspiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaene-8,1'-cyclopropane]-3-one?
The IUPAC name of 10-(5-chloro-6-fluoro-1H-benzo[f]indazol-4-yl)-5-methoxyspiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaene-8,1'-cyclopropane]-3-one (CID 172588380) is 10-(5-chloro-6-fluoro-1H-benzo[f]indazol-4-yl)-5-methoxyspiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaene-8,1'-cyclopropane]-3-one.
What is the SMILES notation for 10-(5-chloro-6-fluoro-1H-benzo[f]indazol-4-yl)-5-methoxyspiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaene-8,1'-cyclopropane]-3-one?
The canonical SMILES for 10-(5-chloro-6-fluoro-1H-benzo[f]indazol-4-yl)-5-methoxyspiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaene-8,1'-cyclopropane]-3-one is COc1nc2c(c(=O)[nH]1)-c1ccnc(-c3c4cn[nH]c4cc4ccc(F)c(Cl)c34)c1C21CC1.
What is the InChIKey of 10-(5-chloro-6-fluoro-1H-benzo[f]indazol-4-yl)-5-methoxyspiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaene-8,1'-cyclopropane]-3-one?
The InChIKey is XEYCIOMYDKLZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClFN5O2/c1-33-23-29-21-17(22(32)30-23)11-4-7-27-20(18(11)24(21)5-6-24)16-12-9-28-31-14(12)8-10-2-3-13(26)19(25)15(10)16/h2-4,7-9H,5-6H2,1H3,(H,28,31)(H,29,30,32).
What are the key properties of 10-(5-chloro-6-fluoro-1H-benzo[f]indazol-4-yl)-5-methoxyspiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaene-8,1'-cyclopropane]-3-one?
10-(5-chloro-6-fluoro-1H-benzo[f]indazol-4-yl)-5-methoxyspiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaene-8,1'-cyclopropane]-3-one has a molecular weight of 459.87 g/mol, XLogP of 4.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-chloro-6-fluoro-1H-benzo[f]indazol-4-yl)-5-methoxyspiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaene-8,1'-cyclopropane]-3-one is sourced from PubChem (CID 172588380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).