[5-bromo-1-(1-phenylpentyl)indazol-3-yl]-(1-methylindazol-6-yl)methanone

C27H25BrN4O — CID 145042838

IUPAC[5-bromo-1-(1-phenylpentyl)indazol-3-yl]-(1-methylindazol-6-yl)methanone
SMILESCCCCC(c1ccccc1)n1nc(C(=O)c2ccc3cnn(C)c3c2)c2cc(Br)ccc21
InChIInChI=1S/C27H25BrN4O/c1-3-4-10-23(18-8-6-5-7-9-18)32-24-14-13-21(28)16-22(24)26(30-32)27(33)19-11-12-20-17-29-31(2)25(20)15-19/h5-9,11-17,23H,3-4,10H2,1-2H3
InChIKeySLBLDQDZQUEDLS-UHFFFAOYSA-N
MW501.43 g/mol
LogP6.70
Rot. Bonds7

About [5-bromo-1-(1-phenylpentyl)indazol-3-yl]-(1-methylindazol-6-yl)methanone

[5-bromo-1-(1-phenylpentyl)indazol-3-yl]-(1-methylindazol-6-yl)methanone (PubChem CID 145042838) has the molecular formula C27H25BrN4O and a molecular weight of 501.43 g/mol. Its IUPAC name is [5-bromo-1-(1-phenylpentyl)indazol-3-yl]-(1-methylindazol-6-yl)methanone.

Molecular Properties

Compound Name[5-bromo-1-(1-phenylpentyl)indazol-3-yl]-(1-methylindazol-6-yl)methanone
PubChem CID145042838
Molecular FormulaC27H25BrN4O
Molecular Weight501.43 g/mol
Exact Mass500.12
IUPAC Name[5-bromo-1-(1-phenylpentyl)indazol-3-yl]-(1-methylindazol-6-yl)methanone
SMILESCCCCC(c1ccccc1)n1nc(C(=O)c2ccc3cnn(C)c3c2)c2cc(Br)ccc21
InChIInChI=1S/C27H25BrN4O/c1-3-4-10-23(18-8-6-5-7-9-18)32-24-14-13-21(28)16-22(24)26(30-32)27(33)19-11-12-20-17-29-31(2)25(20)15-19/h5-9,11-17,23H,3-4,10H2,1-2H3
InChIKeySLBLDQDZQUEDLS-UHFFFAOYSA-N
XLogP6.70
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.43
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-((1H-indazol-6-yl)methylamino)phenyl)(1-methyl-1H-indazol-3-yl)methanone
CID 44577793
(E)-3-[1-(4-bromophenyl)-3-(4-methylphenyl)pyrazol-4-yl]-1-phenylprop-2-en-1-one
CID 118734044
1-[1-(Difluoromethyl)-6-(1-methylpyrazol-4-yl)indazol-3-yl]-2-methylpropan-1-one
CID 137413486
4-[1-(5-Bromoindazol-1-yl)-4,4,4-trifluorobutyl]benzamide;tert-butyl propanoate
CID 175244997
(1-Benzyl-7-bromoindazol-3-yl)-cyclohexylmethanone
CID 11406830
(e)-3-(3-(1-(4-Bromophenyl)-5-methyl-1h-1,2,3-triazol-4-yl)-1-phenyl-1h-pyrazol-4-yl)-1-(4-tolyl)prop-2-en-1-one
CID 129729336
2-(2H-Indazol-2-yl)-1-phenylethanone
CID 139085125
(1-Benzyl-7-bromoindazol-3-yl)-(4-fluorophenyl)methanone
CID 12995043
N-[(3-Bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]-1H-indazole-6-carboxamide
CID 53084695
2-(3-Bromo-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanone
CID 103124090
2-(5-Bromo-2-fluorophenyl)-1-(1-methylindazol-3-yl)ethanone
CID 103124239
(5-Bromo-2-fluorophenyl)-(1-methylindazol-3-yl)methanone
CID 103124968

Frequently Asked Questions

What is the IUPAC name of [5-bromo-1-(1-phenylpentyl)indazol-3-yl]-(1-methylindazol-6-yl)methanone?
The IUPAC name of [5-bromo-1-(1-phenylpentyl)indazol-3-yl]-(1-methylindazol-6-yl)methanone (CID 145042838) is [5-bromo-1-(1-phenylpentyl)indazol-3-yl]-(1-methylindazol-6-yl)methanone.
What is the SMILES notation for [5-bromo-1-(1-phenylpentyl)indazol-3-yl]-(1-methylindazol-6-yl)methanone?
The canonical SMILES for [5-bromo-1-(1-phenylpentyl)indazol-3-yl]-(1-methylindazol-6-yl)methanone is CCCCC(c1ccccc1)n1nc(C(=O)c2ccc3cnn(C)c3c2)c2cc(Br)ccc21.
What is the InChIKey of [5-bromo-1-(1-phenylpentyl)indazol-3-yl]-(1-methylindazol-6-yl)methanone?
The InChIKey is SLBLDQDZQUEDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25BrN4O/c1-3-4-10-23(18-8-6-5-7-9-18)32-24-14-13-21(28)16-22(24)26(30-32)27(33)19-11-12-20-17-29-31(2)25(20)15-19/h5-9,11-17,23H,3-4,10H2,1-2H3.
What are the key properties of [5-bromo-1-(1-phenylpentyl)indazol-3-yl]-(1-methylindazol-6-yl)methanone?
[5-bromo-1-(1-phenylpentyl)indazol-3-yl]-(1-methylindazol-6-yl)methanone has a molecular weight of 501.43 g/mol, XLogP of 6.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-1-(1-phenylpentyl)indazol-3-yl]-(1-methylindazol-6-yl)methanone is sourced from PubChem (CID 145042838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).