10-(2-benzylpyrazol-3-yl)-12-fluoro-5-(1H-indazol-6-ylmethyl)-2-azabicyclo[6.4.0]dodeca-1(8),2,3,9,11-pentaene

C29H24FN5 — CID 146433283

IUPAC10-(2-benzylpyrazol-3-yl)-12-fluoro-5-(1H-indazol-6-ylmethyl)-2-azabicyclo[6.4.0]dodeca-1(8),2,3,9,11-pentaene
SMILESFc1cc(-c2ccnn2Cc2ccccc2)cc2c1N=C=CC(Cc1ccc3cn[nH]c3c1)CC2
InChIInChI=1S/C29H24FN5/c30-26-17-25(28-11-13-33-35(28)19-21-4-2-1-3-5-21)16-23-8-6-20(10-12-31-29(23)26)14-22-7-9-24-18-32-34-27(24)15-22/h1-5,7,9-11,13,15-18,20H,6,8,14,19H2,(H,32,34)
InChIKeyCNCBARDWAUTYPT-UHFFFAOYSA-N
MW461.54 g/mol
LogP6.28
Rot. Bonds5

About 10-(2-benzylpyrazol-3-yl)-12-fluoro-5-(1H-indazol-6-ylmethyl)-2-azabicyclo[6.4.0]dodeca-1(8),2,3,9,11-pentaene

10-(2-benzylpyrazol-3-yl)-12-fluoro-5-(1H-indazol-6-ylmethyl)-2-azabicyclo[6.4.0]dodeca-1(8),2,3,9,11-pentaene (PubChem CID 146433283) has the molecular formula C29H24FN5 and a molecular weight of 461.54 g/mol. Its IUPAC name is 10-(2-benzylpyrazol-3-yl)-12-fluoro-5-(1H-indazol-6-ylmethyl)-2-azabicyclo[6.4.0]dodeca-1(8),2,3,9,11-pentaene.

Molecular Properties

Compound Name10-(2-benzylpyrazol-3-yl)-12-fluoro-5-(1H-indazol-6-ylmethyl)-2-azabicyclo[6.4.0]dodeca-1(8),2,3,9,11-pentaene
PubChem CID146433283
Molecular FormulaC29H24FN5
Molecular Weight461.54 g/mol
Exact Mass461.20
IUPAC Name10-(2-benzylpyrazol-3-yl)-12-fluoro-5-(1H-indazol-6-ylmethyl)-2-azabicyclo[6.4.0]dodeca-1(8),2,3,9,11-pentaene
SMILESFc1cc(-c2ccnn2Cc2ccccc2)cc2c1N=C=CC(Cc1ccc3cn[nH]c3c1)CC2
InChIInChI=1S/C29H24FN5/c30-26-17-25(28-11-13-33-35(28)19-21-4-2-1-3-5-21)16-23-8-6-20(10-12-31-29(23)26)14-22-7-9-24-18-32-34-27(24)15-22/h1-5,7,9-11,13,15-18,20H,6,8,14,19H2,(H,32,34)
InChIKeyCNCBARDWAUTYPT-UHFFFAOYSA-N
XLogP6.28
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.54
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-(2-benzylpyrazol-3-yl)-12-fluoro-5-(1H-indazol-6-ylmethyl)-2-azabicyclo[6.4.0]dodeca-1(8),2,3,9,11-pentaene with MolForge

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Related Compounds

6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluoro-1-(1H-indazol-6-yl)benzotriazole
CID 146433539
2-[2-(1H-indazol-6-yl)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 166669211
4-(4-benzylpiperazin-1-yl)-N-(1H-indazol-6-ylmethyl)butan-1-amine
CID 119110136
4-chloro-6-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 162477067
4-[[5-[4-amino-3-[amino(1H-indazol-6-yl)amino]-5-chlorophenyl]pyrazol-1-yl]methyl]benzonitrile
CID 146433230
4-chloro-1-(1H-indazol-6-yl)-6-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzotriazole
CID 162477073
6-(pyridin-3-ylmethyl)-1H-indazole
CID 174925312
(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 46341627
4-chloro-6-[2-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 146433474
N-(1H-indazol-6-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128992092
7-(1H-indazol-6-ylmethyl)-2-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine
CID 162637274
4-[[5-[3-amino-1-(1H-indazol-6-yl)-4-oxidopyrazolo[4,3-b]pyridin-4-ium-6-yl]pyrazol-1-yl]methyl]benzonitrile
CID 162477126

Frequently Asked Questions

What is the IUPAC name of 10-(2-benzylpyrazol-3-yl)-12-fluoro-5-(1H-indazol-6-ylmethyl)-2-azabicyclo[6.4.0]dodeca-1(8),2,3,9,11-pentaene?
The IUPAC name of 10-(2-benzylpyrazol-3-yl)-12-fluoro-5-(1H-indazol-6-ylmethyl)-2-azabicyclo[6.4.0]dodeca-1(8),2,3,9,11-pentaene (CID 146433283) is 10-(2-benzylpyrazol-3-yl)-12-fluoro-5-(1H-indazol-6-ylmethyl)-2-azabicyclo[6.4.0]dodeca-1(8),2,3,9,11-pentaene.
What is the SMILES notation for 10-(2-benzylpyrazol-3-yl)-12-fluoro-5-(1H-indazol-6-ylmethyl)-2-azabicyclo[6.4.0]dodeca-1(8),2,3,9,11-pentaene?
The canonical SMILES for 10-(2-benzylpyrazol-3-yl)-12-fluoro-5-(1H-indazol-6-ylmethyl)-2-azabicyclo[6.4.0]dodeca-1(8),2,3,9,11-pentaene is Fc1cc(-c2ccnn2Cc2ccccc2)cc2c1N=C=CC(Cc1ccc3cn[nH]c3c1)CC2.
What is the InChIKey of 10-(2-benzylpyrazol-3-yl)-12-fluoro-5-(1H-indazol-6-ylmethyl)-2-azabicyclo[6.4.0]dodeca-1(8),2,3,9,11-pentaene?
The InChIKey is CNCBARDWAUTYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN5/c30-26-17-25(28-11-13-33-35(28)19-21-4-2-1-3-5-21)16-23-8-6-20(10-12-31-29(23)26)14-22-7-9-24-18-32-34-27(24)15-22/h1-5,7,9-11,13,15-18,20H,6,8,14,19H2,(H,32,34).
What are the key properties of 10-(2-benzylpyrazol-3-yl)-12-fluoro-5-(1H-indazol-6-ylmethyl)-2-azabicyclo[6.4.0]dodeca-1(8),2,3,9,11-pentaene?
10-(2-benzylpyrazol-3-yl)-12-fluoro-5-(1H-indazol-6-ylmethyl)-2-azabicyclo[6.4.0]dodeca-1(8),2,3,9,11-pentaene has a molecular weight of 461.54 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-benzylpyrazol-3-yl)-12-fluoro-5-(1H-indazol-6-ylmethyl)-2-azabicyclo[6.4.0]dodeca-1(8),2,3,9,11-pentaene is sourced from PubChem (CID 146433283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).