5-fluoro-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b][1,6]naphthyridine]-2,5'-dione

C23H18FN5O2 — CID 139233275

IUPAC5-fluoro-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b][1,6]naphthyridine]-2,5'-dione
SMILESCc1nn(-c2ccccc2)c2c1C1(C(=O)Nc3ccc(F)cc31)C1=C(CCNC1=O)N2
InChIInChI=1S/C23H18FN5O2/c1-12-18-20(29(28-12)14-5-3-2-4-6-14)26-17-9-10-25-21(30)19(17)23(18)15-11-13(24)7-8-16(15)27-22(23)31/h2-8,11,26H,9-10H2,1H3,(H,25,30)(H,27,31)
InChIKeyHITVNXWKYOQQDX-UHFFFAOYSA-N
MW415.43 g/mol
LogP2.76
Rot. Bonds1

About 5-fluoro-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b][1,6]naphthyridine]-2,5'-dione

5-fluoro-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b][1,6]naphthyridine]-2,5'-dione (PubChem CID 139233275) has the molecular formula C23H18FN5O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is 5-fluoro-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b][1,6]naphthyridine]-2,5'-dione.

Molecular Properties

Compound Name5-fluoro-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b][1,6]naphthyridine]-2,5'-dione
PubChem CID139233275
Molecular FormulaC23H18FN5O2
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC Name5-fluoro-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b][1,6]naphthyridine]-2,5'-dione
SMILESCc1nn(-c2ccccc2)c2c1C1(C(=O)Nc3ccc(F)cc31)C1=C(CCNC1=O)N2
InChIInChI=1S/C23H18FN5O2/c1-12-18-20(29(28-12)14-5-3-2-4-6-14)26-17-9-10-25-21(30)19(17)23(18)15-11-13(24)7-8-16(15)27-22(23)31/h2-8,11,26H,9-10H2,1H3,(H,25,30)(H,27,31)
InChIKeyHITVNXWKYOQQDX-UHFFFAOYSA-N
XLogP2.76
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
(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
(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
5-fluoro-3'-methylspiro[1H-indole-3,4'-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline]-2,5'-dione
CID 137275889
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
4-(2,4-difluorophenyl)-3-methyl-1-phenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135823538
6'-amino-3',5-dimethyl-1'-(4-methylphenyl)-2-oxospiro[1H-indole-3,4'-7H-pyrazolo[5,4-b]pyridine]-5'-carbonitrile
CID 135621350
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-fluoro-10'-(4-fluorophenyl)spiro[1H-indole-3,9'-2,3,4,5,6,7-hexahydroacridine]-1',2,8'-trione
CID 134088011
(3S)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-3-hydroxy-5-nitro-1H-indol-2-one
CID 7428045
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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b][1,6]naphthyridine]-2,5'-dione?
The IUPAC name of 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) is 5-fluoro-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b][1,6]naphthyridine]-2,5'-dione.
What is the SMILES notation for 5-fluoro-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b][1,6]naphthyridine]-2,5'-dione?
The canonical SMILES for 5-fluoro-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b][1,6]naphthyridine]-2,5'-dione is Cc1nn(-c2ccccc2)c2c1C1(C(=O)Nc3ccc(F)cc31)C1=C(CCNC1=O)N2.
What is the InChIKey of 5-fluoro-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b][1,6]naphthyridine]-2,5'-dione?
The InChIKey is HITVNXWKYOQQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2/c1-12-18-20(29(28-12)14-5-3-2-4-6-14)26-17-9-10-25-21(30)19(17)23(18)15-11-13(24)7-8-16(15)27-22(23)31/h2-8,11,26H,9-10H2,1H3,(H,25,30)(H,27,31).
What are the key properties of 5-fluoro-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b][1,6]naphthyridine]-2,5'-dione?
5-fluoro-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b][1,6]naphthyridine]-2,5'-dione has a molecular weight of 415.43 g/mol, XLogP of 2.76, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b][1,6]naphthyridine]-2,5'-dione is sourced from PubChem (CID 139233275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).