(5-fluoro-1H-indol-3-yl)-[2-(1H-indazol-6-ylmethylamino)phenyl]methanone

C23H17FN4O — CID 44577987

IUPAC(5-fluoro-1H-indol-3-yl)-[2-(1H-indazol-6-ylmethylamino)phenyl]methanone
SMILESO=C(c1ccccc1NCc1ccc2cn[nH]c2c1)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C23H17FN4O/c24-16-7-8-21-18(10-16)19(13-26-21)23(29)17-3-1-2-4-20(17)25-11-14-5-6-15-12-27-28-22(15)9-14/h1-10,12-13,25-26H,11H2,(H,27,28)
InChIKeyZFHCSRYZQPISPI-UHFFFAOYSA-N
MW384.41 g/mol
LogP5.03
Rot. Bonds5

About (5-fluoro-1H-indol-3-yl)-[2-(1H-indazol-6-ylmethylamino)phenyl]methanone

(5-fluoro-1H-indol-3-yl)-[2-(1H-indazol-6-ylmethylamino)phenyl]methanone (PubChem CID 44577987) has the molecular formula C23H17FN4O and a molecular weight of 384.41 g/mol. Its IUPAC name is (5-fluoro-1H-indol-3-yl)-[2-(1H-indazol-6-ylmethylamino)phenyl]methanone.

Molecular Properties

Compound Name(5-fluoro-1H-indol-3-yl)-[2-(1H-indazol-6-ylmethylamino)phenyl]methanone
PubChem CID44577987
Molecular FormulaC23H17FN4O
Molecular Weight384.41 g/mol
Exact Mass384.14
IUPAC Name(5-fluoro-1H-indol-3-yl)-[2-(1H-indazol-6-ylmethylamino)phenyl]methanone
SMILESO=C(c1ccccc1NCc1ccc2cn[nH]c2c1)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C23H17FN4O/c24-16-7-8-21-18(10-16)19(13-26-21)23(29)17-3-1-2-4-20(17)25-11-14-5-6-15-12-27-28-22(15)9-14/h1-10,12-13,25-26H,11H2,(H,27,28)
InChIKeyZFHCSRYZQPISPI-UHFFFAOYSA-N
XLogP5.03
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.41
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one
CID 127052113
5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide
CID 132169624
2-(2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-indol-6-yl)-1-phenylethanone
CID 136188827
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 15958784
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 15958785
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 15958786
3-(5-((4-fluoropiperidin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 16049816
1-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]amino]-7-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42635855
2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide
CID 44596891
9-ethyl-6,6-dimethyl-11-oxo-8-(1-piperidin-4-ylpyrazol-4-yl)-5H-benzo[b]carbazole-3-carbonitrile
CID 127037083

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-3-yl)-[2-(1H-indazol-6-ylmethylamino)phenyl]methanone?
The IUPAC name of (5-fluoro-1H-indol-3-yl)-[2-(1H-indazol-6-ylmethylamino)phenyl]methanone (CID 44577987) is (5-fluoro-1H-indol-3-yl)-[2-(1H-indazol-6-ylmethylamino)phenyl]methanone.
What is the SMILES notation for (5-fluoro-1H-indol-3-yl)-[2-(1H-indazol-6-ylmethylamino)phenyl]methanone?
The canonical SMILES for (5-fluoro-1H-indol-3-yl)-[2-(1H-indazol-6-ylmethylamino)phenyl]methanone is O=C(c1ccccc1NCc1ccc2cn[nH]c2c1)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of (5-fluoro-1H-indol-3-yl)-[2-(1H-indazol-6-ylmethylamino)phenyl]methanone?
The InChIKey is ZFHCSRYZQPISPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O/c24-16-7-8-21-18(10-16)19(13-26-21)23(29)17-3-1-2-4-20(17)25-11-14-5-6-15-12-27-28-22(15)9-14/h1-10,12-13,25-26H,11H2,(H,27,28).
What are the key properties of (5-fluoro-1H-indol-3-yl)-[2-(1H-indazol-6-ylmethylamino)phenyl]methanone?
(5-fluoro-1H-indol-3-yl)-[2-(1H-indazol-6-ylmethylamino)phenyl]methanone has a molecular weight of 384.41 g/mol, XLogP of 5.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-3-yl)-[2-(1H-indazol-6-ylmethylamino)phenyl]methanone is sourced from PubChem (CID 44577987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).