N'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide

C23H22FN5O — CID 42025322

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide
SMILESCc1cc(C)nc(NNC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)n1
InChIInChI=1S/C23H22FN5O/c1-14-12-15(2)26-23(25-14)29-28-21(30)11-9-18-19-13-17(24)8-10-20(19)27-22(18)16-6-4-3-5-7-16/h3-8,10,12-13,27H,9,11H2,1-2H3,(H,28,30)(H,25,26,29)
InChIKeyGKZXHIPBIWPMFQ-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.46
Rot. Bonds6

About N'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide

N'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide (PubChem CID 42025322) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide
PubChem CID42025322
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide
SMILESCc1cc(C)nc(NNC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)n1
InChIInChI=1S/C23H22FN5O/c1-14-12-15(2)26-23(25-14)29-28-21(30)11-9-18-19-13-17(24)8-10-20(19)27-22(18)16-6-4-3-5-7-16/h3-8,10,12-13,27H,9,11H2,1-2H3,(H,28,30)(H,25,26,29)
InChIKeyGKZXHIPBIWPMFQ-UHFFFAOYSA-N
XLogP4.46
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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3-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl-methylamino]-2-methylpropanoic acid
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3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide
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3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-hydroxypropan-2-yl]propanamide
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3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide (CID 42025322) is N'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide is Cc1cc(C)nc(NNC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide?
The InChIKey is GKZXHIPBIWPMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-14-12-15(2)26-23(25-14)29-28-21(30)11-9-18-19-13-17(24)8-10-20(19)27-22(18)16-6-4-3-5-7-16/h3-8,10,12-13,27H,9,11H2,1-2H3,(H,28,30)(H,25,26,29).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide has a molecular weight of 403.46 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide is sourced from PubChem (CID 42025322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).