5'-fluoro-12-methyl-14-phenylspiro[13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione

C27H17FN4O2 — CID 135878866

IUPAC5'-fluoro-12-methyl-14-phenylspiro[13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione
SMILESCc1nn(-c2ccccc2)c2c1C1(C(=O)Nc3ccc(F)cc31)C1=C(N2)c2ccccc2C1=O
InChIInChI=1S/C27H17FN4O2/c1-14-21-25(32(31-14)16-7-3-2-4-8-16)30-23-17-9-5-6-10-18(17)24(33)22(23)27(21)19-13-15(28)11-12-20(19)29-26(27)34/h2-13,30H,1H3,(H,29,34)
InChIKeyPBEYIVAKKKQFHB-UHFFFAOYSA-N
MW448.46 g/mol
LogP4.59
Rot. Bonds1

About 5'-fluoro-12-methyl-14-phenylspiro[13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione

5'-fluoro-12-methyl-14-phenylspiro[13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione (PubChem CID 135878866) has the molecular formula C27H17FN4O2 and a molecular weight of 448.46 g/mol. Its IUPAC name is 5'-fluoro-12-methyl-14-phenylspiro[13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione.

Molecular Properties

Compound Name5'-fluoro-12-methyl-14-phenylspiro[13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione
PubChem CID135878866
Molecular FormulaC27H17FN4O2
Molecular Weight448.46 g/mol
Exact Mass448.13
IUPAC Name5'-fluoro-12-methyl-14-phenylspiro[13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione
SMILESCc1nn(-c2ccccc2)c2c1C1(C(=O)Nc3ccc(F)cc31)C1=C(N2)c2ccccc2C1=O
InChIInChI=1S/C27H17FN4O2/c1-14-21-25(32(31-14)16-7-3-2-4-8-16)30-23-17-9-5-6-10-18(17)24(33)22(23)27(21)19-13-15(28)11-12-20(19)29-26(27)34/h2-13,30H,1H3,(H,29,34)
InChIKeyPBEYIVAKKKQFHB-UHFFFAOYSA-N
XLogP4.59
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5'-fluoro-12-methyl-14-phenylspiro[13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione with MolForge

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Related Compounds

5-fluoro-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b][1,6]naphthyridine]-2,5'-dione
CID 139233275
(3R)-5-bromo-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b]quinoline]-2,5'-dione
CID 136776877
5-bromo-3'-methyl-6'-(7-methyl-1H-indol-3-yl)-2-oxo-1'-phenylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
CID 136830847
5'-chloro-12-methylspiro[14-oxa-13,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione
CID 137279409
(3S)-6'-methyl-5-nitro-4'-phenylspiro[1H-indole-3,8'-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione
CID 136776900
6'-(1H-indol-3-yl)-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
CID 136830837
6-bromo-6'-methyl-4'-phenylspiro[1H-indole-3,8'-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione
CID 137317895
(3R)-3'-methyl-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-chromeno[3,2-d]pyrazole]-2,5'-dione
CID 139177211
(3R)-6'-amino-5-bromo-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 1035483
5-nitrospiro[1H-indole-3,12'-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),3(11),4,6,8,14,16,18,20-nonaene]-2,10'-dione
CID 46910773
6'-amino-3'-methyl-1'-(4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
CID 135621337
4-(2,4-difluorophenyl)-3-methyl-1-phenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135823538

Frequently Asked Questions

What is the IUPAC name of 5'-fluoro-12-methyl-14-phenylspiro[13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione?
The IUPAC name of 5'-fluoro-12-methyl-14-phenylspiro[13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione (CID 135878866) is 5'-fluoro-12-methyl-14-phenylspiro[13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione.
What is the SMILES notation for 5'-fluoro-12-methyl-14-phenylspiro[13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione?
The canonical SMILES for 5'-fluoro-12-methyl-14-phenylspiro[13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione is Cc1nn(-c2ccccc2)c2c1C1(C(=O)Nc3ccc(F)cc31)C1=C(N2)c2ccccc2C1=O.
What is the InChIKey of 5'-fluoro-12-methyl-14-phenylspiro[13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione?
The InChIKey is PBEYIVAKKKQFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17FN4O2/c1-14-21-25(32(31-14)16-7-3-2-4-8-16)30-23-17-9-5-6-10-18(17)24(33)22(23)27(21)19-13-15(28)11-12-20(19)29-26(27)34/h2-13,30H,1H3,(H,29,34).
What are the key properties of 5'-fluoro-12-methyl-14-phenylspiro[13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione?
5'-fluoro-12-methyl-14-phenylspiro[13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione has a molecular weight of 448.46 g/mol, XLogP of 4.59, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-fluoro-12-methyl-14-phenylspiro[13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione is sourced from PubChem (CID 135878866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).